Odović, Jadranka

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orcid::0000-0001-6506-9357
  • Odović, Jadranka (37)
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Author's Bibliography

Employing machine learning to assess the accuracy of near-infrared spectroscopy of spent dialysate fluid in monitoring the blood concentrations of uremic toxins

Trbojević-Stanković, Jasna B.; Matović, Valentina D.; Jeftić, Branislava D.; Nešić, Dejan; Odović, Jadranka; Perović-Blagojević, Iva; Topalović, Nikola; Matija, Lidija R.

(Institut za Bioloska Istrazivanja, 2023)

TY  - JOUR
AU  - Trbojević-Stanković, Jasna B.
AU  - Matović, Valentina D.
AU  - Jeftić, Branislava D.
AU  - Nešić, Dejan
AU  - Odović, Jadranka
AU  - Perović-Blagojević, Iva
AU  - Topalović, Nikola
AU  - Matija, Lidija R.
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5263
AB  - Hemodialysis (HD) removes nitrogenous waste products from patients’ blood through a semipermeable mem- brane along a concentration gradient. Near-infrared spectroscopy (NIRS) is an underexplored method of monitoring the concentrations of several molecules that reflect the efficacy of the HD process in dialysate samples. In this study, we aimed to evaluate NIRS as a technique for the non-invasive detection of uremic solutes by assessing the correlations between the spectrum of the spent dialysate and the serum levels of urea, creatinine, and uric acid. Blood and dialysate samples were taken from 35 patients on maintenance HD. The absorption spectrum of each dialysate sample was measured three times in the wavelength range of 700-1700 nm, resulting in a dataset with 315 spectra. The artificial neural network (ANN) learn- ing technique was used to assess the correlations between the recorded NIR-absorbance spectra of the spent dialysate and serum levels of selected uremic toxins. Very good correlations between the NIR-absorbance spectra of the spent dialysate fluid with serum urea (R=0.91) and uric acid (R=0.91) and an excellent correlation with serum creatinine (R=0.97) were obtained. These results support the application of NIRS as a non-invasive, safe, accurate, and repetitive technique for online monitoring of uremic toxins to assist clinicians in assessing HD efficiency and individualization of HD treatments.
PB  - Institut za Bioloska Istrazivanja
T2  - Archives of Biological Sciences
T1  - Employing machine learning to assess the accuracy of near-infrared spectroscopy of spent dialysate fluid in monitoring the blood concentrations of uremic toxins
VL  - 75
IS  - 3
SP  - 309
EP  - 317
DO  - 10.2298/ABS230502025T
ER  - 
@article{
author = "Trbojević-Stanković, Jasna B. and Matović, Valentina D. and Jeftić, Branislava D. and Nešić, Dejan and Odović, Jadranka and Perović-Blagojević, Iva and Topalović, Nikola and Matija, Lidija R.",
year = "2023",
abstract = "Hemodialysis (HD) removes nitrogenous waste products from patients’ blood through a semipermeable mem- brane along a concentration gradient. Near-infrared spectroscopy (NIRS) is an underexplored method of monitoring the concentrations of several molecules that reflect the efficacy of the HD process in dialysate samples. In this study, we aimed to evaluate NIRS as a technique for the non-invasive detection of uremic solutes by assessing the correlations between the spectrum of the spent dialysate and the serum levels of urea, creatinine, and uric acid. Blood and dialysate samples were taken from 35 patients on maintenance HD. The absorption spectrum of each dialysate sample was measured three times in the wavelength range of 700-1700 nm, resulting in a dataset with 315 spectra. The artificial neural network (ANN) learn- ing technique was used to assess the correlations between the recorded NIR-absorbance spectra of the spent dialysate and serum levels of selected uremic toxins. Very good correlations between the NIR-absorbance spectra of the spent dialysate fluid with serum urea (R=0.91) and uric acid (R=0.91) and an excellent correlation with serum creatinine (R=0.97) were obtained. These results support the application of NIRS as a non-invasive, safe, accurate, and repetitive technique for online monitoring of uremic toxins to assist clinicians in assessing HD efficiency and individualization of HD treatments.",
publisher = "Institut za Bioloska Istrazivanja",
journal = "Archives of Biological Sciences",
title = "Employing machine learning to assess the accuracy of near-infrared spectroscopy of spent dialysate fluid in monitoring the blood concentrations of uremic toxins",
volume = "75",
number = "3",
pages = "309-317",
doi = "10.2298/ABS230502025T"
}
Trbojević-Stanković, J. B., Matović, V. D., Jeftić, B. D., Nešić, D., Odović, J., Perović-Blagojević, I., Topalović, N.,& Matija, L. R.. (2023). Employing machine learning to assess the accuracy of near-infrared spectroscopy of spent dialysate fluid in monitoring the blood concentrations of uremic toxins. in Archives of Biological Sciences
Institut za Bioloska Istrazivanja., 75(3), 309-317.
https://doi.org/10.2298/ABS230502025T
Trbojević-Stanković JB, Matović VD, Jeftić BD, Nešić D, Odović J, Perović-Blagojević I, Topalović N, Matija LR. Employing machine learning to assess the accuracy of near-infrared spectroscopy of spent dialysate fluid in monitoring the blood concentrations of uremic toxins. in Archives of Biological Sciences. 2023;75(3):309-317.
doi:10.2298/ABS230502025T .
Trbojević-Stanković, Jasna B., Matović, Valentina D., Jeftić, Branislava D., Nešić, Dejan, Odović, Jadranka, Perović-Blagojević, Iva, Topalović, Nikola, Matija, Lidija R., "Employing machine learning to assess the accuracy of near-infrared spectroscopy of spent dialysate fluid in monitoring the blood concentrations of uremic toxins" in Archives of Biological Sciences, 75, no. 3 (2023):309-317,
https://doi.org/10.2298/ABS230502025T . .

The correlation of plasma protein binding and molecular properties of selected antifungal drugs

Odović, Jadranka; Crevar-Sakač, Milkica; Vujić, Zorica

(Serbian Chemical Society, 2020)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Crevar-Sakač, Milkica
AU  - Vujić, Zorica
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3713
AB  - Antifungal agents are the group of drugs commonly prescribed in the treatment  of  fungal  infections,  which  are  widely  spread  among  the  global population.  Their  properties,  such  as  absorption,  distribution,  metabolism, route of elimination or plasma protein binding (PPB), considerably influence their  therapeutic  success,  while  a  number  of  the  molecular  physicochemical properties  of  the  drug  notably  influence  all  these  processes.  Lipophilicity (log P), molecular weight (Mw), volume (Vol), polar surface area (PSA) and solubility (log S) play important roles in drug absorption, penetration into tis-sues, distribution and route of elimination or the degree of plasma protein bind-ing. In this study, the relationships between these five molecular properties of eight  antifungal  drugs  and  their  plasma  protein  binding  data  obtained  from relevant literature were investigated. The Selected physicochemical molecular descriptors of the drug were calculated using software packages. The estab-lished relationships between PPB and PSA; Mw; Vol and log S were showed relatively poor correlation (r < 0.35). The best correlation was obtained for the relationship  between PPB  data  and  the  lipophilicity  descriptor X  log P3 (correlation coefficient r = 0.55). In further investigation, multiple linear reg-ression analysis was applied. The best correlation was obtained with applicat-ion of lipophilicity with polar surface area (r = 0.918) and volume (r = 0.916) or molecular weight (r = 0.896) as independent variables.
AB  - Антифунгалнасредствапредстављајугрупулековакојисепримењујуулечењугљи-вичнихинфекција, данасширокораспрострањенихмеђуглобалномпопулацијом. Одњиховихособинакаоштосуапсорпција, дистрибуција, метаболизам, путелиминацијеиливезивањезапротеинеплазмe значајнозависињиховтерапеутскиуспех, абројнефизичко–хемијскеособинемолекулалекаутичунасвеовепроцесе. Липофилност(log P), молекулскамаса (Mw), запремина (Vol), поларнаповршина (PSA) ираствор-љивост (log S) играјуважнуулогууапсорпцијилека, продирањууткива, дистрибуцији, путуелиминацијеилистепенувезивањазапротеинеплазме. Уовомрадузаосаманти-фунгалнихлековаистраженисуодносиизмеђуособинамолекулаистепенањиховогвезивањазапротеинеплазме (PPB). Дескрипторифизичко–хемијскихособинамолекулаиспитиванихантифунгалнихлековаизрачунатисупомоћуодабранихсофтверскихпакета, доксуподациоњиховомPPBприкупљениизодговарајућелитературе. ОдносиизмеђуPPBиPSA, Mw, Volи  log Sпоказалисулошукорелацију (r < 0,35) докјебољакорелацијадобијенајеизмеђуподатакаоPPBидеск  рипторалипофилности, X log  P3вредности (r = 0,55). Удаљемиспитивању, примењенајевишеструкалинеарнарегре-сионаанализа. НајбољезависностидобијенесуизмеђуPPBвредностиилипофилностиузприменуполарнеповршинемолекула (r = 0,918), волумена (r = 0,916) имолекулскемасе (r = 0,896) каонезависнопроменљивих.
PB  - Serbian Chemical Society
T2  - Journal of the Serbian Chemical Society
T1  - The correlation of plasma protein binding and molecular properties of selected antifungal drugs
T1  - КОРЕЛАЦИЈАСТЕПЕНАВЕЗИВАЊАЗАПРОТЕИНЕПЛАЗМЕИОСОБИНАМОЛЕКУЛАОДАБРАНИХАНТИФУНГАЛНИХЛЕКОВА
VL  - 85
IS  - 7
SP  - 897
EP  - 907
DO  - 10.2298/JSC190925125O
DO  - 2-s2.0-85092602809
ER  - 
@article{
author = "Odović, Jadranka and Crevar-Sakač, Milkica and Vujić, Zorica",
year = "2020",
abstract = "Antifungal agents are the group of drugs commonly prescribed in the treatment  of  fungal  infections,  which  are  widely  spread  among  the  global population.  Their  properties,  such  as  absorption,  distribution,  metabolism, route of elimination or plasma protein binding (PPB), considerably influence their  therapeutic  success,  while  a  number  of  the  molecular  physicochemical properties  of  the  drug  notably  influence  all  these  processes.  Lipophilicity (log P), molecular weight (Mw), volume (Vol), polar surface area (PSA) and solubility (log S) play important roles in drug absorption, penetration into tis-sues, distribution and route of elimination or the degree of plasma protein bind-ing. In this study, the relationships between these five molecular properties of eight  antifungal  drugs  and  their  plasma  protein  binding  data  obtained  from relevant literature were investigated. The Selected physicochemical molecular descriptors of the drug were calculated using software packages. The estab-lished relationships between PPB and PSA; Mw; Vol and log S were showed relatively poor correlation (r < 0.35). The best correlation was obtained for the relationship  between PPB  data  and  the  lipophilicity  descriptor X  log P3 (correlation coefficient r = 0.55). In further investigation, multiple linear reg-ression analysis was applied. The best correlation was obtained with applicat-ion of lipophilicity with polar surface area (r = 0.918) and volume (r = 0.916) or molecular weight (r = 0.896) as independent variables., Антифунгалнасредствапредстављајугрупулековакојисепримењујуулечењугљи-вичнихинфекција, данасширокораспрострањенихмеђуглобалномпопулацијом. Одњиховихособинакаоштосуапсорпција, дистрибуција, метаболизам, путелиминацијеиливезивањезапротеинеплазмe значајнозависињиховтерапеутскиуспех, абројнефизичко–хемијскеособинемолекулалекаутичунасвеовепроцесе. Липофилност(log P), молекулскамаса (Mw), запремина (Vol), поларнаповршина (PSA) ираствор-љивост (log S) играјуважнуулогууапсорпцијилека, продирањууткива, дистрибуцији, путуелиминацијеилистепенувезивањазапротеинеплазме. Уовомрадузаосаманти-фунгалнихлековаистраженисуодносиизмеђуособинамолекулаистепенањиховогвезивањазапротеинеплазме (PPB). Дескрипторифизичко–хемијскихособинамолекулаиспитиванихантифунгалнихлековаизрачунатисупомоћуодабранихсофтверскихпакета, доксуподациоњиховомPPBприкупљениизодговарајућелитературе. ОдносиизмеђуPPBиPSA, Mw, Volи  log Sпоказалисулошукорелацију (r < 0,35) докјебољакорелацијадобијенајеизмеђуподатакаоPPBидеск  рипторалипофилности, X log  P3вредности (r = 0,55). Удаљемиспитивању, примењенајевишеструкалинеарнарегре-сионаанализа. НајбољезависностидобијенесуизмеђуPPBвредностиилипофилностиузприменуполарнеповршинемолекула (r = 0,918), волумена (r = 0,916) имолекулскемасе (r = 0,896) каонезависнопроменљивих.",
publisher = "Serbian Chemical Society",
journal = "Journal of the Serbian Chemical Society",
title = "The correlation of plasma protein binding and molecular properties of selected antifungal drugs, КОРЕЛАЦИЈАСТЕПЕНАВЕЗИВАЊАЗАПРОТЕИНЕПЛАЗМЕИОСОБИНАМОЛЕКУЛАОДАБРАНИХАНТИФУНГАЛНИХЛЕКОВА",
volume = "85",
number = "7",
pages = "897-907",
doi = "10.2298/JSC190925125O, 2-s2.0-85092602809"
}
Odović, J., Crevar-Sakač, M.,& Vujić, Z.. (2020). The correlation of plasma protein binding and molecular properties of selected antifungal drugs. in Journal of the Serbian Chemical Society
Serbian Chemical Society., 85(7), 897-907.
https://doi.org/10.2298/JSC190925125O
Odović J, Crevar-Sakač M, Vujić Z. The correlation of plasma protein binding and molecular properties of selected antifungal drugs. in Journal of the Serbian Chemical Society. 2020;85(7):897-907.
doi:10.2298/JSC190925125O .
Odović, Jadranka, Crevar-Sakač, Milkica, Vujić, Zorica, "The correlation of plasma protein binding and molecular properties of selected antifungal drugs" in Journal of the Serbian Chemical Society, 85, no. 7 (2020):897-907,
https://doi.org/10.2298/JSC190925125O . .
1
1

Antibacterial graphene-based hydroxyapatite/chitosan coating with gentamicin for potential applications in bone tissue engineering

Stevanović, Milena; Đošić, Marija; Janković, Ana; Kojić, Vesna; Vukašinović-Sekulić, Maja; Stojanović, Jovica; Odović, Jadranka; Crevar-Sakač, Milkica; Kyong Yop, Rhee; Mišković-Stanković, Vesna

(Wiley Periodicals, LLC., 2020)

TY  - JOUR
AU  - Stevanović, Milena
AU  - Đošić, Marija
AU  - Janković, Ana
AU  - Kojić, Vesna
AU  - Vukašinović-Sekulić, Maja
AU  - Stojanović, Jovica
AU  - Odović, Jadranka
AU  - Crevar-Sakač, Milkica
AU  - Kyong Yop, Rhee
AU  - Mišković-Stanković, Vesna
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3657
AB  - Electrophoretic deposition process (EPD) was successfully used for obtaining graphene (Gr)-reinforced composite coating based on hydroxyapatite (HAP), chitosan (CS), and antibiotic gentamicin (Gent), from aqueous suspension. The deposition process was performed as a single step process at a constant voltage (5 V, deposition time 12 min) on pure titanium foils. The influence of graphene was examined through detailed physicochemical and biological characterization. Fourier transform infrared spectroscopy, field emission scanning electron microscopy, thermogravimetric analysis, X-ray diffraction, Raman, and X-ray photoelectron analyses confirmed the formation of composite HAP/CS/Gr and HAP/CS/Gr/Gent coatings on Ti. Obtained coatings had porous, uniform, fracture-free surfaces, suggesting strong interfacial interaction between HAP, CS, and Gr. Large specific area of graphene enabled strong bonding with chitosan, acting as nanofiller throughout the polymer matrix. Gentamicin addition strongly improved the antibacterial activity of HAP/CS/Gr/Gent coating that was confirmed by antibacterial activity kinetics in suspension and agar diffusion testing, while results indicated more pronounced antibacterial effect against Staphylococcus aureus (bactericidal, viable cells number reduction >3 logarithmic units) compared to Escherichia coli (bacteriostatic, <3 logarithmic units). MTT assay indicated low cytotoxicity (75% cell viability) against MRC-5 and L929 (70% cell viability) tested cell lines, indicating good biocompatibility of HAP/CS/Gr/Gent coating. Therefore, electrodeposited HAP/CS/Gr/Gent coating on Ti can be considered as a prospective material for bone tissue engineering as a hard tissue implant.
PB  - Wiley Periodicals, LLC.
T2  - Journal of Biomedical Materials Research - Part A
T1  - Antibacterial graphene-based hydroxyapatite/chitosan coating with gentamicin for potential applications in bone tissue engineering
VL  - 108
IS  - 11
SP  - 2175
EP  - 2189
DO  - 10.1002/jbm.a.36974
ER  - 
@article{
author = "Stevanović, Milena and Đošić, Marija and Janković, Ana and Kojić, Vesna and Vukašinović-Sekulić, Maja and Stojanović, Jovica and Odović, Jadranka and Crevar-Sakač, Milkica and Kyong Yop, Rhee and Mišković-Stanković, Vesna",
year = "2020",
abstract = "Electrophoretic deposition process (EPD) was successfully used for obtaining graphene (Gr)-reinforced composite coating based on hydroxyapatite (HAP), chitosan (CS), and antibiotic gentamicin (Gent), from aqueous suspension. The deposition process was performed as a single step process at a constant voltage (5 V, deposition time 12 min) on pure titanium foils. The influence of graphene was examined through detailed physicochemical and biological characterization. Fourier transform infrared spectroscopy, field emission scanning electron microscopy, thermogravimetric analysis, X-ray diffraction, Raman, and X-ray photoelectron analyses confirmed the formation of composite HAP/CS/Gr and HAP/CS/Gr/Gent coatings on Ti. Obtained coatings had porous, uniform, fracture-free surfaces, suggesting strong interfacial interaction between HAP, CS, and Gr. Large specific area of graphene enabled strong bonding with chitosan, acting as nanofiller throughout the polymer matrix. Gentamicin addition strongly improved the antibacterial activity of HAP/CS/Gr/Gent coating that was confirmed by antibacterial activity kinetics in suspension and agar diffusion testing, while results indicated more pronounced antibacterial effect against Staphylococcus aureus (bactericidal, viable cells number reduction >3 logarithmic units) compared to Escherichia coli (bacteriostatic, <3 logarithmic units). MTT assay indicated low cytotoxicity (75% cell viability) against MRC-5 and L929 (70% cell viability) tested cell lines, indicating good biocompatibility of HAP/CS/Gr/Gent coating. Therefore, electrodeposited HAP/CS/Gr/Gent coating on Ti can be considered as a prospective material for bone tissue engineering as a hard tissue implant.",
publisher = "Wiley Periodicals, LLC.",
journal = "Journal of Biomedical Materials Research - Part A",
title = "Antibacterial graphene-based hydroxyapatite/chitosan coating with gentamicin for potential applications in bone tissue engineering",
volume = "108",
number = "11",
pages = "2175-2189",
doi = "10.1002/jbm.a.36974"
}
Stevanović, M., Đošić, M., Janković, A., Kojić, V., Vukašinović-Sekulić, M., Stojanović, J., Odović, J., Crevar-Sakač, M., Kyong Yop, R.,& Mišković-Stanković, V.. (2020). Antibacterial graphene-based hydroxyapatite/chitosan coating with gentamicin for potential applications in bone tissue engineering. in Journal of Biomedical Materials Research - Part A
Wiley Periodicals, LLC.., 108(11), 2175-2189.
https://doi.org/10.1002/jbm.a.36974
Stevanović M, Đošić M, Janković A, Kojić V, Vukašinović-Sekulić M, Stojanović J, Odović J, Crevar-Sakač M, Kyong Yop R, Mišković-Stanković V. Antibacterial graphene-based hydroxyapatite/chitosan coating with gentamicin for potential applications in bone tissue engineering. in Journal of Biomedical Materials Research - Part A. 2020;108(11):2175-2189.
doi:10.1002/jbm.a.36974 .
Stevanović, Milena, Đošić, Marija, Janković, Ana, Kojić, Vesna, Vukašinović-Sekulić, Maja, Stojanović, Jovica, Odović, Jadranka, Crevar-Sakač, Milkica, Kyong Yop, Rhee, Mišković-Stanković, Vesna, "Antibacterial graphene-based hydroxyapatite/chitosan coating with gentamicin for potential applications in bone tissue engineering" in Journal of Biomedical Materials Research - Part A, 108, no. 11 (2020):2175-2189,
https://doi.org/10.1002/jbm.a.36974 . .
40
14
41

In vitro dissolution study of acetylsalicylic acid and clopidogrel bisulfate solid dispersions: Validation of the RP-HPLC method for simultaneous analysis

Osmanović Omerdić, Ehlimana; Alagić-Džambić, Larisa; Krstić, Marko; Pašić-Kulenović, Maja; Odović, Jadranka; Vasiljević, Dragana

(MDPI AG, 2020)

TY  - JOUR
AU  - Osmanović Omerdić, Ehlimana
AU  - Alagić-Džambić, Larisa
AU  - Krstić, Marko
AU  - Pašić-Kulenović, Maja
AU  - Odović, Jadranka
AU  - Vasiljević, Dragana
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3637
AB  - Solid dispersions were prepared via a solvent evaporation method, employing ethanol (96%, v/v) as solvent, with three different polymers as carrier: povidone, copovidone, and poloxamer 407. Previously developed reversed-phase HPLC (RP-HPLC) methods were modified and used for the simultaneous determination of acetylsalicylic acid and clopidogrel bisulfate and after release from solid dispersions. Chromatography was carried out on a C-18 column, with a mobile phase of acetonitrile-methanol-phosphate buffer pH 3.0, UV detection at 240 nm, and a run time of 6 min. The method was validated according to International Conference of Harmonisation guidelines and validation included specificity, accuracy, precision, linearity, robustness, limit of detection (LOD), and limit of quantification (LOQ). The method is specific for determination of acetylsalicylic acid and clopidogrel bisulfate. The linearity was provided in the concentration range 0.0275-0.1375 mg/mL for acetylsalicylic acid and 0.0200-0.1000 mg/mL for clopidogrel bisulfate, with a correlation coefficient (R2 value) of 0.9999 for both active pharmaceutical ingredients (APIs). Accuracy was confirmed by calculated recoveries for acetylsalicylic acid (98.6-101.0%) and clopidogrel bisulfate (100.0-101.6%). The intra-day and the inter-day precision-calculated relative standard deviations are less than 1%, which indicates high precision of the method. The limits of detection and quantification for acetylsalicylic acid were 0.0004 and 0.0012 mg/mL, and for clopidogrel bisulfate 0.0002 mg/mL and 0.0007 mg/mL, respectively. Small variations in chromatographic conditions did not significantly affect qualitative and quantitative system responses, which proved robustness of method. The proposed RP-HPLC method was applied for simultaneous determination of clopidogrel bisulfate and acetylsalicylic acid from solid dispersions.
PB  - MDPI AG
T2  - Applied Sciences (Switzerland)
T1  - In vitro dissolution study of acetylsalicylic acid and clopidogrel bisulfate solid dispersions: Validation of the RP-HPLC method for simultaneous analysis
VL  - 10
IS  - 14
DO  - 10.3390/app10144792
ER  - 
@article{
author = "Osmanović Omerdić, Ehlimana and Alagić-Džambić, Larisa and Krstić, Marko and Pašić-Kulenović, Maja and Odović, Jadranka and Vasiljević, Dragana",
year = "2020",
abstract = "Solid dispersions were prepared via a solvent evaporation method, employing ethanol (96%, v/v) as solvent, with three different polymers as carrier: povidone, copovidone, and poloxamer 407. Previously developed reversed-phase HPLC (RP-HPLC) methods were modified and used for the simultaneous determination of acetylsalicylic acid and clopidogrel bisulfate and after release from solid dispersions. Chromatography was carried out on a C-18 column, with a mobile phase of acetonitrile-methanol-phosphate buffer pH 3.0, UV detection at 240 nm, and a run time of 6 min. The method was validated according to International Conference of Harmonisation guidelines and validation included specificity, accuracy, precision, linearity, robustness, limit of detection (LOD), and limit of quantification (LOQ). The method is specific for determination of acetylsalicylic acid and clopidogrel bisulfate. The linearity was provided in the concentration range 0.0275-0.1375 mg/mL for acetylsalicylic acid and 0.0200-0.1000 mg/mL for clopidogrel bisulfate, with a correlation coefficient (R2 value) of 0.9999 for both active pharmaceutical ingredients (APIs). Accuracy was confirmed by calculated recoveries for acetylsalicylic acid (98.6-101.0%) and clopidogrel bisulfate (100.0-101.6%). The intra-day and the inter-day precision-calculated relative standard deviations are less than 1%, which indicates high precision of the method. The limits of detection and quantification for acetylsalicylic acid were 0.0004 and 0.0012 mg/mL, and for clopidogrel bisulfate 0.0002 mg/mL and 0.0007 mg/mL, respectively. Small variations in chromatographic conditions did not significantly affect qualitative and quantitative system responses, which proved robustness of method. The proposed RP-HPLC method was applied for simultaneous determination of clopidogrel bisulfate and acetylsalicylic acid from solid dispersions.",
publisher = "MDPI AG",
journal = "Applied Sciences (Switzerland)",
title = "In vitro dissolution study of acetylsalicylic acid and clopidogrel bisulfate solid dispersions: Validation of the RP-HPLC method for simultaneous analysis",
volume = "10",
number = "14",
doi = "10.3390/app10144792"
}
Osmanović Omerdić, E., Alagić-Džambić, L., Krstić, M., Pašić-Kulenović, M., Odović, J.,& Vasiljević, D.. (2020). In vitro dissolution study of acetylsalicylic acid and clopidogrel bisulfate solid dispersions: Validation of the RP-HPLC method for simultaneous analysis. in Applied Sciences (Switzerland)
MDPI AG., 10(14).
https://doi.org/10.3390/app10144792
Osmanović Omerdić E, Alagić-Džambić L, Krstić M, Pašić-Kulenović M, Odović J, Vasiljević D. In vitro dissolution study of acetylsalicylic acid and clopidogrel bisulfate solid dispersions: Validation of the RP-HPLC method for simultaneous analysis. in Applied Sciences (Switzerland). 2020;10(14).
doi:10.3390/app10144792 .
Osmanović Omerdić, Ehlimana, Alagić-Džambić, Larisa, Krstić, Marko, Pašić-Kulenović, Maja, Odović, Jadranka, Vasiljević, Dragana, "In vitro dissolution study of acetylsalicylic acid and clopidogrel bisulfate solid dispersions: Validation of the RP-HPLC method for simultaneous analysis" in Applied Sciences (Switzerland), 10, no. 14 (2020),
https://doi.org/10.3390/app10144792 . .
1
3
1
2

Spectroscopic studies on the drug–drug interaction: the influence of fluoroquinolones on the affinity of tigecycline to human serum albumin and identification of the binding site

Stojanović, Stefan; Nićiforović, Jovan; Živanović, Sandra; Odović, Jadranka; Jelić, Ratomir

(Springer, 2020)

TY  - JOUR
AU  - Stojanović, Stefan
AU  - Nićiforović, Jovan
AU  - Živanović, Sandra
AU  - Odović, Jadranka
AU  - Jelić, Ratomir
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3614
AB  - bstract: Concomitant use of two or more drugs in therapy is becoming a more frequent phenomenon and clinically relevant drug–drug interactions at the level of binding to human serum albumin (HSA) are more often. The influence of fluoroquinolones–sparfloxacin, levofloxacin, and ciprofloxacin, on the interaction between tigecycline and HSA, was investigated in vitro by means of fluorescence and absorption spectroscopy. The results of UV–Vis and fluorescence spectroscopy showed that the fluorescence quenching of HSA was a result of the formation of new complexes through a static quenching process. The binding constants (Ka) and the number of binding sites (n) of all systems were calculated. The presence of sparfloxacin and ciprofloxacin increases and that of levofloxacin slightly decreases the binding constant of the HSA–tigecycline system. Competitive binding studies in the presence of site-specific markers showed that tigecycline was not significantly displaced by ibuprofen, but warfarin showed a significant displacement of tigecycline. These results suggest that the competitive binding of tigecycline and warfarin to HSA exists. The results confirm that the binding site of tigecycline is mainly located in Sudlow’s site I (subdomain IIA) of HSA. Graphic abstract: [Figure not available: see fulltext.
PB  - Springer
T2  - Monatshefte fur Chemie
T1  - Spectroscopic studies on the drug–drug interaction: the influence of fluoroquinolones on the affinity of tigecycline to human serum albumin and identification of the binding site
VL  - 151
SP  - 999
EP  - 1007
DO  - 10.1007/s00706-020-02627-0
ER  - 
@article{
author = "Stojanović, Stefan and Nićiforović, Jovan and Živanović, Sandra and Odović, Jadranka and Jelić, Ratomir",
year = "2020",
abstract = "bstract: Concomitant use of two or more drugs in therapy is becoming a more frequent phenomenon and clinically relevant drug–drug interactions at the level of binding to human serum albumin (HSA) are more often. The influence of fluoroquinolones–sparfloxacin, levofloxacin, and ciprofloxacin, on the interaction between tigecycline and HSA, was investigated in vitro by means of fluorescence and absorption spectroscopy. The results of UV–Vis and fluorescence spectroscopy showed that the fluorescence quenching of HSA was a result of the formation of new complexes through a static quenching process. The binding constants (Ka) and the number of binding sites (n) of all systems were calculated. The presence of sparfloxacin and ciprofloxacin increases and that of levofloxacin slightly decreases the binding constant of the HSA–tigecycline system. Competitive binding studies in the presence of site-specific markers showed that tigecycline was not significantly displaced by ibuprofen, but warfarin showed a significant displacement of tigecycline. These results suggest that the competitive binding of tigecycline and warfarin to HSA exists. The results confirm that the binding site of tigecycline is mainly located in Sudlow’s site I (subdomain IIA) of HSA. Graphic abstract: [Figure not available: see fulltext.",
publisher = "Springer",
journal = "Monatshefte fur Chemie",
title = "Spectroscopic studies on the drug–drug interaction: the influence of fluoroquinolones on the affinity of tigecycline to human serum albumin and identification of the binding site",
volume = "151",
pages = "999-1007",
doi = "10.1007/s00706-020-02627-0"
}
Stojanović, S., Nićiforović, J., Živanović, S., Odović, J.,& Jelić, R.. (2020). Spectroscopic studies on the drug–drug interaction: the influence of fluoroquinolones on the affinity of tigecycline to human serum albumin and identification of the binding site. in Monatshefte fur Chemie
Springer., 151, 999-1007.
https://doi.org/10.1007/s00706-020-02627-0
Stojanović S, Nićiforović J, Živanović S, Odović J, Jelić R. Spectroscopic studies on the drug–drug interaction: the influence of fluoroquinolones on the affinity of tigecycline to human serum albumin and identification of the binding site. in Monatshefte fur Chemie. 2020;151:999-1007.
doi:10.1007/s00706-020-02627-0 .
Stojanović, Stefan, Nićiforović, Jovan, Živanović, Sandra, Odović, Jadranka, Jelić, Ratomir, "Spectroscopic studies on the drug–drug interaction: the influence of fluoroquinolones on the affinity of tigecycline to human serum albumin and identification of the binding site" in Monatshefte fur Chemie, 151 (2020):999-1007,
https://doi.org/10.1007/s00706-020-02627-0 . .
12
3
9

In silico investigation of the relation between calcium channel blockers’ molecular descriptors and oral bioavailability data

Odović, Jadranka

(Bulgarian Academy of Sciences, 2019)

TY  - JOUR
AU  - Odović, Jadranka
PY  - 2019
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3285
AB  - Calcium channel blockers are commonly prescribed antihypertensive drugs. In this study, nine calcium channel blockers (amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem) were investigated to evaluate the relationship between their molecular properties and oral bioavailability data collected from relevant literature. Several molecular descriptors of calcium channel blockers: lipophilicity descriptors, different logP values (AlogPs, AClogP, AB/logP, milogP, AlogP, MlogP, KOWWINlogP, XLOGP2, XLOGP3), aqueous solubility data (logS), electronic descriptor - polar surface area (PSA), constitutional parameter - molecular weight (Mw), geometric descriptor - volume value (Vol), acidity descriptor (pKa) were calculated using different software packages. The relationships between computed molecular descriptors and literature-obtained oral bioavailability data were firstly investigated using simple linear regression analysis showing relatively poor correlations with R 2 &amp; 0.6. In continuation, multiple linear regression was applied to achieve higher correlation between calcium channel blockers’ oral bioavailability and their molecular properties, on the first place lipophilicity and one additional, molecular descriptor. The best correlations were established between calcium channel blockers’ oral bioavailability and their lipophilicity data (milogP or KOWWINlogP) with application of acidity descriptor as additional independent variable (R 2 = 0.783 and R 2 = 0.826). Application of computed molecular descriptors in evaluating drugs bioavailability was checked on three additional, fourth generation CCBs, cilnidipine, lacidipine, lercandipine.
PB  - Bulgarian Academy of Sciences
T2  - Bulgarian Chemical Communications
T1  - In silico investigation of the relation between calcium channel blockers’ molecular descriptors and oral bioavailability data
VL  - 51
IS  - 1
SP  - 60
EP  - 65
UR  - https://hdl.handle.net/21.15107/rcub_farfar_3285
ER  - 
@article{
author = "Odović, Jadranka",
year = "2019",
abstract = "Calcium channel blockers are commonly prescribed antihypertensive drugs. In this study, nine calcium channel blockers (amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem) were investigated to evaluate the relationship between their molecular properties and oral bioavailability data collected from relevant literature. Several molecular descriptors of calcium channel blockers: lipophilicity descriptors, different logP values (AlogPs, AClogP, AB/logP, milogP, AlogP, MlogP, KOWWINlogP, XLOGP2, XLOGP3), aqueous solubility data (logS), electronic descriptor - polar surface area (PSA), constitutional parameter - molecular weight (Mw), geometric descriptor - volume value (Vol), acidity descriptor (pKa) were calculated using different software packages. The relationships between computed molecular descriptors and literature-obtained oral bioavailability data were firstly investigated using simple linear regression analysis showing relatively poor correlations with R 2 &amp; 0.6. In continuation, multiple linear regression was applied to achieve higher correlation between calcium channel blockers’ oral bioavailability and their molecular properties, on the first place lipophilicity and one additional, molecular descriptor. The best correlations were established between calcium channel blockers’ oral bioavailability and their lipophilicity data (milogP or KOWWINlogP) with application of acidity descriptor as additional independent variable (R 2 = 0.783 and R 2 = 0.826). Application of computed molecular descriptors in evaluating drugs bioavailability was checked on three additional, fourth generation CCBs, cilnidipine, lacidipine, lercandipine.",
publisher = "Bulgarian Academy of Sciences",
journal = "Bulgarian Chemical Communications",
title = "In silico investigation of the relation between calcium channel blockers’ molecular descriptors and oral bioavailability data",
volume = "51",
number = "1",
pages = "60-65",
url = "https://hdl.handle.net/21.15107/rcub_farfar_3285"
}
Odović, J.. (2019). In silico investigation of the relation between calcium channel blockers’ molecular descriptors and oral bioavailability data. in Bulgarian Chemical Communications
Bulgarian Academy of Sciences., 51(1), 60-65.
https://hdl.handle.net/21.15107/rcub_farfar_3285
Odović J. In silico investigation of the relation between calcium channel blockers’ molecular descriptors and oral bioavailability data. in Bulgarian Chemical Communications. 2019;51(1):60-65.
https://hdl.handle.net/21.15107/rcub_farfar_3285 .
Odović, Jadranka, "In silico investigation of the relation between calcium channel blockers’ molecular descriptors and oral bioavailability data" in Bulgarian Chemical Communications, 51, no. 1 (2019):60-65,
https://hdl.handle.net/21.15107/rcub_farfar_3285 .

Gentamicin-Loaded Bioactive Hydroxyapatite/Chitosan Composite Coating Electrodeposited on Titanium

Stevanović, Milena; Đosić, Marija; Janković, Ana; Kojić, Vesna; Vukašinović-Sekulić, Maja; Stojanović, Jovica; Odović, Jadranka; Crevar-Sakač, Milkica; Rhee, Kyong Yop; Mišković-Stanković, Vesna

(Amer Chemical Soc, Washington, 2018)

TY  - JOUR
AU  - Stevanović, Milena
AU  - Đosić, Marija
AU  - Janković, Ana
AU  - Kojić, Vesna
AU  - Vukašinović-Sekulić, Maja
AU  - Stojanović, Jovica
AU  - Odović, Jadranka
AU  - Crevar-Sakač, Milkica
AU  - Rhee, Kyong Yop
AU  - Mišković-Stanković, Vesna
PY  - 2018
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3123
AB  - Composite coating of antibiotic gentamicin (Gent), natural polymer chitosan (CS), and hydroxyapatite (HAP) was successfully assessed by applying the electrophoretic deposition (EPD) technique. EPD was performed under optimized deposition conditions (5 V, 12 min) on pure titanium plates, to obtain HAP/CS and HAP/CS/Gent composite coatings in a single step from three-component aqueous suspension, with favorable antibacterial properties. Composite coatings were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis, and X-ray photoelectron analysis, confirming the formation of composite HAP/CS and HAP/CS/Gent coatings on the titanium surface, which is due to intermolecular hydrogen bonds. Employing the XRD technique, HAP was detected by obtaining the characteristic diffraction maximums. Good antibacterial activity of the composite coating loaded with antibiotic (HAP/CS/Gent) was confirmed against Staphylococcus aureus and Escherichia coli, pointing to the high potential for bioapplication. Introduction of gentamicin in HAP/CS/Gent coating caused very mild cytotoxicity in the tested cell lines MRC-5 and L929. MTT testing was used to evaluate cell viability, and HAP/CS was classified as noncytotoxic.
PB  - Amer Chemical Soc, Washington
T2  - ACS Biomaterials Science & Engineering
T1  - Gentamicin-Loaded Bioactive Hydroxyapatite/Chitosan Composite Coating Electrodeposited on Titanium
VL  - 4
IS  - 12
SP  - 3994
EP  - 4007
DO  - 10.1021/acsbiomaterials.8b00859
ER  - 
@article{
author = "Stevanović, Milena and Đosić, Marija and Janković, Ana and Kojić, Vesna and Vukašinović-Sekulić, Maja and Stojanović, Jovica and Odović, Jadranka and Crevar-Sakač, Milkica and Rhee, Kyong Yop and Mišković-Stanković, Vesna",
year = "2018",
abstract = "Composite coating of antibiotic gentamicin (Gent), natural polymer chitosan (CS), and hydroxyapatite (HAP) was successfully assessed by applying the electrophoretic deposition (EPD) technique. EPD was performed under optimized deposition conditions (5 V, 12 min) on pure titanium plates, to obtain HAP/CS and HAP/CS/Gent composite coatings in a single step from three-component aqueous suspension, with favorable antibacterial properties. Composite coatings were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis, and X-ray photoelectron analysis, confirming the formation of composite HAP/CS and HAP/CS/Gent coatings on the titanium surface, which is due to intermolecular hydrogen bonds. Employing the XRD technique, HAP was detected by obtaining the characteristic diffraction maximums. Good antibacterial activity of the composite coating loaded with antibiotic (HAP/CS/Gent) was confirmed against Staphylococcus aureus and Escherichia coli, pointing to the high potential for bioapplication. Introduction of gentamicin in HAP/CS/Gent coating caused very mild cytotoxicity in the tested cell lines MRC-5 and L929. MTT testing was used to evaluate cell viability, and HAP/CS was classified as noncytotoxic.",
publisher = "Amer Chemical Soc, Washington",
journal = "ACS Biomaterials Science & Engineering",
title = "Gentamicin-Loaded Bioactive Hydroxyapatite/Chitosan Composite Coating Electrodeposited on Titanium",
volume = "4",
number = "12",
pages = "3994-4007",
doi = "10.1021/acsbiomaterials.8b00859"
}
Stevanović, M., Đosić, M., Janković, A., Kojić, V., Vukašinović-Sekulić, M., Stojanović, J., Odović, J., Crevar-Sakač, M., Rhee, K. Y.,& Mišković-Stanković, V.. (2018). Gentamicin-Loaded Bioactive Hydroxyapatite/Chitosan Composite Coating Electrodeposited on Titanium. in ACS Biomaterials Science & Engineering
Amer Chemical Soc, Washington., 4(12), 3994-4007.
https://doi.org/10.1021/acsbiomaterials.8b00859
Stevanović M, Đosić M, Janković A, Kojić V, Vukašinović-Sekulić M, Stojanović J, Odović J, Crevar-Sakač M, Rhee KY, Mišković-Stanković V. Gentamicin-Loaded Bioactive Hydroxyapatite/Chitosan Composite Coating Electrodeposited on Titanium. in ACS Biomaterials Science & Engineering. 2018;4(12):3994-4007.
doi:10.1021/acsbiomaterials.8b00859 .
Stevanović, Milena, Đosić, Marija, Janković, Ana, Kojić, Vesna, Vukašinović-Sekulić, Maja, Stojanović, Jovica, Odović, Jadranka, Crevar-Sakač, Milkica, Rhee, Kyong Yop, Mišković-Stanković, Vesna, "Gentamicin-Loaded Bioactive Hydroxyapatite/Chitosan Composite Coating Electrodeposited on Titanium" in ACS Biomaterials Science & Engineering, 4, no. 12 (2018):3994-4007,
https://doi.org/10.1021/acsbiomaterials.8b00859 . .
58
34
59

The effect of tigecycline on the binding of fluoroquinolones to human serum albumin

Jelić, Ratomir; Stojanović, Stefan D.; Berić, Jelena D.; Odović, Jadranka

(Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac, 2018)

TY  - JOUR
AU  - Jelić, Ratomir
AU  - Stojanović, Stefan D.
AU  - Berić, Jelena D.
AU  - Odović, Jadranka
PY  - 2018
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3031
AB  - The co-administration of several drugs in multidrug therapy may alter the binding of each drug to human serum albumin (HSA) and, thus, their pharmacology effect. Therefore, in this study, the interaction mechanism between HSA and two fluoroquinolones (FQs), sparfloxacin (SPF) and levofloxacin (LVF), was investigated using fluorescence and absorption methods in the absence and presence of the competing drugtigecycline (TGC). The UV-Vis and fluorescence spectroscopy results showed that the fluorescence quenching of HSA was a result of the formation of the HSA-SPF and HSA-LVF complexes. The fluorescence quenching of HSA-TGC revealed that tigecycline can regulate the binding sites, binding mode and binding affinity of fl uoroquinolones. The binding constants (KA) and binding sites (n) of the interaction systems were calculated. The results confirmed that the KA values of the HSA-FQ system decreased in the presence of TGC, indicating that TGC can affect the binding ability of FQ for HSA. This interaction may increase the free plasma concentration of unbound FQ and enhance their pharmacology effect.
AB  - Istovremena primena nekoliko lekova, u multilek terapiji, može izmeniti njihovo vezivanje za humani serumski albumin (HSA) i njihov farmakološki efekat. Zbog toga, u ovom radu je proučavan mehanizam interakcije između HSA i dva fluorohinolona (FQs): sparfloksacina (SPF) i levofloksacina (LVF) fluorescentnim i apsorpcionim metodama u odsustvu i prisustvu konkurentskog leka - tigeciklina (TGC). Rezultati UV-Vis i fluorescentne spektroskopije su pokazali da je gašenje fluorescencije u HSA rezultat formiranja HSA-SPF i HSA-LVF kompleksa. Gašenje fluoroscencije u HSA-TGC je pokazalo da tigeciklin može regulisati mesta vezivanja, način vezivanja i afinitet vezivanja fluorohinolona. Konstante vezivanja (KA) i broj vezujućih mesta (n) za interakcije u sistemu su izračunate. Rezultati su potvrdili da su vrednosti KA u HSA-FQ sistemu, smanjene u prisustvu TGC, a to ukazuje da TGC može da utiče na sposobnost vezivanja FQ za HSA. Ova interakcija može povećati slobodnu koncentraciju u plazmi nevezanog FQ i poboljšati njegov farmakološki efekat.
PB  - Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac
T2  - Serbian Journal of Experimental and Clinical Research
T1  - The effect of tigecycline on the binding of fluoroquinolones to human serum albumin
T1  - Dejstvo tigeciklina na vezivanje fluorohinolona za humani serumski albumin
VL  - 19
IS  - 1
SP  - 17
EP  - 25
DO  - 10.1515/SJECR-2017-0006
ER  - 
@article{
author = "Jelić, Ratomir and Stojanović, Stefan D. and Berić, Jelena D. and Odović, Jadranka",
year = "2018",
abstract = "The co-administration of several drugs in multidrug therapy may alter the binding of each drug to human serum albumin (HSA) and, thus, their pharmacology effect. Therefore, in this study, the interaction mechanism between HSA and two fluoroquinolones (FQs), sparfloxacin (SPF) and levofloxacin (LVF), was investigated using fluorescence and absorption methods in the absence and presence of the competing drugtigecycline (TGC). The UV-Vis and fluorescence spectroscopy results showed that the fluorescence quenching of HSA was a result of the formation of the HSA-SPF and HSA-LVF complexes. The fluorescence quenching of HSA-TGC revealed that tigecycline can regulate the binding sites, binding mode and binding affinity of fl uoroquinolones. The binding constants (KA) and binding sites (n) of the interaction systems were calculated. The results confirmed that the KA values of the HSA-FQ system decreased in the presence of TGC, indicating that TGC can affect the binding ability of FQ for HSA. This interaction may increase the free plasma concentration of unbound FQ and enhance their pharmacology effect., Istovremena primena nekoliko lekova, u multilek terapiji, može izmeniti njihovo vezivanje za humani serumski albumin (HSA) i njihov farmakološki efekat. Zbog toga, u ovom radu je proučavan mehanizam interakcije između HSA i dva fluorohinolona (FQs): sparfloksacina (SPF) i levofloksacina (LVF) fluorescentnim i apsorpcionim metodama u odsustvu i prisustvu konkurentskog leka - tigeciklina (TGC). Rezultati UV-Vis i fluorescentne spektroskopije su pokazali da je gašenje fluorescencije u HSA rezultat formiranja HSA-SPF i HSA-LVF kompleksa. Gašenje fluoroscencije u HSA-TGC je pokazalo da tigeciklin može regulisati mesta vezivanja, način vezivanja i afinitet vezivanja fluorohinolona. Konstante vezivanja (KA) i broj vezujućih mesta (n) za interakcije u sistemu su izračunate. Rezultati su potvrdili da su vrednosti KA u HSA-FQ sistemu, smanjene u prisustvu TGC, a to ukazuje da TGC može da utiče na sposobnost vezivanja FQ za HSA. Ova interakcija može povećati slobodnu koncentraciju u plazmi nevezanog FQ i poboljšati njegov farmakološki efekat.",
publisher = "Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac",
journal = "Serbian Journal of Experimental and Clinical Research",
title = "The effect of tigecycline on the binding of fluoroquinolones to human serum albumin, Dejstvo tigeciklina na vezivanje fluorohinolona za humani serumski albumin",
volume = "19",
number = "1",
pages = "17-25",
doi = "10.1515/SJECR-2017-0006"
}
Jelić, R., Stojanović, S. D., Berić, J. D.,& Odović, J.. (2018). The effect of tigecycline on the binding of fluoroquinolones to human serum albumin. in Serbian Journal of Experimental and Clinical Research
Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac., 19(1), 17-25.
https://doi.org/10.1515/SJECR-2017-0006
Jelić R, Stojanović SD, Berić JD, Odović J. The effect of tigecycline on the binding of fluoroquinolones to human serum albumin. in Serbian Journal of Experimental and Clinical Research. 2018;19(1):17-25.
doi:10.1515/SJECR-2017-0006 .
Jelić, Ratomir, Stojanović, Stefan D., Berić, Jelena D., Odović, Jadranka, "The effect of tigecycline on the binding of fluoroquinolones to human serum albumin" in Serbian Journal of Experimental and Clinical Research, 19, no. 1 (2018):17-25,
https://doi.org/10.1515/SJECR-2017-0006 . .
2
1

Estimation of plasma protein binding of selected antipsychotics using computed molecular properties

Berić, Jelena D.; Jelić, Ratomir; Nešić, Dejan M.; Trbojević-Stanković, Jasna; Odović, Jadranka

(Srpsko biološko društvo, Beograd, i dr., 2017)

TY  - JOUR
AU  - Berić, Jelena D.
AU  - Jelić, Ratomir
AU  - Nešić, Dejan M.
AU  - Trbojević-Stanković, Jasna
AU  - Odović, Jadranka
PY  - 2017
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2794
AB  - The plasma protein binding (PPB) data of twelve antipsychotics (aripiprazole, clozapine, olanzapine, quetiapine, risperidone, sertindole, ziprasidone, chlorpromazine, flupentixol, fluphenazine, haloperidol, zuclopenthixol) were estimated using computed molecular descriptors, which included the electronic descriptor - polar surface area (PSA), the constitutional parameter - molecular weight (Mw), the geometric descriptor - volume value (Vol), the lipophilicity descriptor (logP) and aqueous solubility data (logS), and the acidity descriptor (pK(a)). The relationships between computed molecular properties of the selected antipsychotics and their PPB data were investigated by simple linear regression analysis. Low correlations were obtained between the PPB data of the antipsychotics and PSA, Mw, Vol, pKa, logS (R  lt  0.30) values, while relatively higher correlations (0.35 lt R-2 lt 0.70) were obtained for the majority of logP values. Multiple linear regression (MLR) analysis was applied to access reliable correlations of the PPB data of the antipsychotics and the computed molecular descriptors. Relationships with acceptable probability values (P lt 0.05) were established for five lipophilicity descriptors (logP values) with application of the acidity descriptor (pKa) as independent variables: AlogP (R-2=0.705), XlogP3 (R-2=0.679), ClogP (R-2=0.590), XlogP2 (R-2=0.567), as well as for the experimental lipophilicity parameter, logPexp (R-2=0.635). The best correlations obtained in MLR using AlogP and pKa as independent variables were checked using three additional antipsychotics: loxapine, sulpiride and amisulpride, with the PPB values of 97%, "less than" 40% and 17%, respectively. Their predicted PPB values were relatively close to the literature data. The proposed technique confirmed that lipophilicity, together with acidity significantly influences the PPB of antipsychotics. The described procedure can be regarded as an additional in vitro approach to the modeling of the investigated group of drugs.
PB  - Srpsko biološko društvo, Beograd, i dr.
T2  - Archives of Biological Sciences
T1  - Estimation of plasma protein binding of selected antipsychotics using computed molecular properties
VL  - 69
IS  - 3
SP  - 463
EP  - 468
DO  - 10.2298/ABS160912121B
ER  - 
@article{
author = "Berić, Jelena D. and Jelić, Ratomir and Nešić, Dejan M. and Trbojević-Stanković, Jasna and Odović, Jadranka",
year = "2017",
abstract = "The plasma protein binding (PPB) data of twelve antipsychotics (aripiprazole, clozapine, olanzapine, quetiapine, risperidone, sertindole, ziprasidone, chlorpromazine, flupentixol, fluphenazine, haloperidol, zuclopenthixol) were estimated using computed molecular descriptors, which included the electronic descriptor - polar surface area (PSA), the constitutional parameter - molecular weight (Mw), the geometric descriptor - volume value (Vol), the lipophilicity descriptor (logP) and aqueous solubility data (logS), and the acidity descriptor (pK(a)). The relationships between computed molecular properties of the selected antipsychotics and their PPB data were investigated by simple linear regression analysis. Low correlations were obtained between the PPB data of the antipsychotics and PSA, Mw, Vol, pKa, logS (R  lt  0.30) values, while relatively higher correlations (0.35 lt R-2 lt 0.70) were obtained for the majority of logP values. Multiple linear regression (MLR) analysis was applied to access reliable correlations of the PPB data of the antipsychotics and the computed molecular descriptors. Relationships with acceptable probability values (P lt 0.05) were established for five lipophilicity descriptors (logP values) with application of the acidity descriptor (pKa) as independent variables: AlogP (R-2=0.705), XlogP3 (R-2=0.679), ClogP (R-2=0.590), XlogP2 (R-2=0.567), as well as for the experimental lipophilicity parameter, logPexp (R-2=0.635). The best correlations obtained in MLR using AlogP and pKa as independent variables were checked using three additional antipsychotics: loxapine, sulpiride and amisulpride, with the PPB values of 97%, "less than" 40% and 17%, respectively. Their predicted PPB values were relatively close to the literature data. The proposed technique confirmed that lipophilicity, together with acidity significantly influences the PPB of antipsychotics. The described procedure can be regarded as an additional in vitro approach to the modeling of the investigated group of drugs.",
publisher = "Srpsko biološko društvo, Beograd, i dr.",
journal = "Archives of Biological Sciences",
title = "Estimation of plasma protein binding of selected antipsychotics using computed molecular properties",
volume = "69",
number = "3",
pages = "463-468",
doi = "10.2298/ABS160912121B"
}
Berić, J. D., Jelić, R., Nešić, D. M., Trbojević-Stanković, J.,& Odović, J.. (2017). Estimation of plasma protein binding of selected antipsychotics using computed molecular properties. in Archives of Biological Sciences
Srpsko biološko društvo, Beograd, i dr.., 69(3), 463-468.
https://doi.org/10.2298/ABS160912121B
Berić JD, Jelić R, Nešić DM, Trbojević-Stanković J, Odović J. Estimation of plasma protein binding of selected antipsychotics using computed molecular properties. in Archives of Biological Sciences. 2017;69(3):463-468.
doi:10.2298/ABS160912121B .
Berić, Jelena D., Jelić, Ratomir, Nešić, Dejan M., Trbojević-Stanković, Jasna, Odović, Jadranka, "Estimation of plasma protein binding of selected antipsychotics using computed molecular properties" in Archives of Biological Sciences, 69, no. 3 (2017):463-468,
https://doi.org/10.2298/ABS160912121B . .
2
1

Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data

Odović, Jadranka; Trbojević, Jovana B.; Trbojević-Stanković, Jasna; Nešić, Dejan M.; Jelić, Ratomir

(Srpsko biološko društvo, Beograd, i dr., 2017)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Trbojević, Jovana B.
AU  - Trbojević-Stanković, Jasna
AU  - Nešić, Dejan M.
AU  - Jelić, Ratomir
PY  - 2017
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2904
AB  - In this study we investigated the relationship between the calcium channel blockers (CCBs), amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem, and their calculated molecular descriptors: polar surface area (PSA), molecular weight (Mw), volume value (Vol), aqueous solubility data (logS), lipophilicity (logP), acidity (pKa values) and plasma protein binding (PPB) data, obtained from relevant literature. The relationships between the computed molecular properties of selected CCBs and their PPB data were investigated by simple linear regression analysis that revealed very low correlations (R2 lt 0.35). When multiple linear regression (MLR) analysis was applied to investigate reliable correlations between the CCBs' calculated molecular descriptors and PPB data, the best correlations were found for the relationships between CCBs, and PPB data and lipophilicity, and with application of the molecular descriptor (Mw, Vol, or pKa) data as additional independent variables (R2=0.623; R2=0.741; R2=0.657, respectively), with an acceptable probability value (P lt 0.05), confirming that lipophilicity, together with other molecular properties, are essential for the drugs' PPB. We conclude that this could be considered as an additional in vitro approach for modeling CCBs.
PB  - Srpsko biološko društvo, Beograd, i dr.
T2  - Archives of Biological Sciences
T1  - Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data
VL  - 69
IS  - 1
SP  - 175
EP  - 179
DO  - 10.2298/ABS160609094O
ER  - 
@article{
author = "Odović, Jadranka and Trbojević, Jovana B. and Trbojević-Stanković, Jasna and Nešić, Dejan M. and Jelić, Ratomir",
year = "2017",
abstract = "In this study we investigated the relationship between the calcium channel blockers (CCBs), amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem, and their calculated molecular descriptors: polar surface area (PSA), molecular weight (Mw), volume value (Vol), aqueous solubility data (logS), lipophilicity (logP), acidity (pKa values) and plasma protein binding (PPB) data, obtained from relevant literature. The relationships between the computed molecular properties of selected CCBs and their PPB data were investigated by simple linear regression analysis that revealed very low correlations (R2 lt 0.35). When multiple linear regression (MLR) analysis was applied to investigate reliable correlations between the CCBs' calculated molecular descriptors and PPB data, the best correlations were found for the relationships between CCBs, and PPB data and lipophilicity, and with application of the molecular descriptor (Mw, Vol, or pKa) data as additional independent variables (R2=0.623; R2=0.741; R2=0.657, respectively), with an acceptable probability value (P lt 0.05), confirming that lipophilicity, together with other molecular properties, are essential for the drugs' PPB. We conclude that this could be considered as an additional in vitro approach for modeling CCBs.",
publisher = "Srpsko biološko društvo, Beograd, i dr.",
journal = "Archives of Biological Sciences",
title = "Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data",
volume = "69",
number = "1",
pages = "175-179",
doi = "10.2298/ABS160609094O"
}
Odović, J., Trbojević, J. B., Trbojević-Stanković, J., Nešić, D. M.,& Jelić, R.. (2017). Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data. in Archives of Biological Sciences
Srpsko biološko društvo, Beograd, i dr.., 69(1), 175-179.
https://doi.org/10.2298/ABS160609094O
Odović J, Trbojević JB, Trbojević-Stanković J, Nešić DM, Jelić R. Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data. in Archives of Biological Sciences. 2017;69(1):175-179.
doi:10.2298/ABS160609094O .
Odović, Jadranka, Trbojević, Jovana B., Trbojević-Stanković, Jasna, Nešić, Dejan M., Jelić, Ratomir, "Assessment of the relationship between the molecular properties of calcium channel blockers and plasma protein binding data" in Archives of Biological Sciences, 69, no. 1 (2017):175-179,
https://doi.org/10.2298/ABS160609094O . .
2
1
3

The evaluation of angiotensin-converting enzyme inhibitors in renal elimination with selected molecular descriptors

Trbojević, Jovana; Odović, Jadranka; Trbojević-Stanković, Jasna; Stojimirović, Biljana; Jelić, Ratomir

(Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac, 2017)

TY  - JOUR
AU  - Trbojević, Jovana
AU  - Odović, Jadranka
AU  - Trbojević-Stanković, Jasna
AU  - Stojimirović, Biljana
AU  - Jelić, Ratomir
PY  - 2017
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2781
AB  - Angiotensin-converting enzyme (ACE) inhibitors modulate the function of the renin-angiotensin-aldosterone system, and they are commonly prescribed antihypertensive drugs especially in patients with renal failure. In this study, the relationships between several molecular properties of eight ACE inhibitors (enalapril, quinapril, fosinopril, ramipril, benazepril, perindopril, moexipril, trandolapril) and their renal elimination data, from relevant literature, were investigated. The 'molecular descriptors of the ACE inhibitors, which included aqueous solubility data (logS); an electronic descriptor, polar surface area (PSA);, a constitutional parameter, molecular mass (Mr); and a geometric descriptor, volume value (Vol), as well as lipophilicity descriptors (logP values), were calculated using different software packages. Simple linear regression analysis showed the best correlation between renal elimination data and lipophilicity descriptor AClogP values (R2 = 0.5742). In the next stage of the study, multiple linear regression was applied to assess a higher correlation between the ACE inhibitors' renal elimination data and lipophilicity, AClogP, with one additional descriptor as an independent variable. Good correlations were established between renal elimination data from the literature and the AClogP lipophilicity descriptor using the constitutional parameter (molecular mass (R2 = 0.7425)) or the geometric descriptor (volume value (R2 = 0.7224)) as an independent variable. the application of computed molecular descriptors in evaluating drug elimination is of great importance in drug research.
AB  - Inhibitori enzima koji konvertuje angiotenzin (ACE) modifikuju funkciju renin-angiotenzin-aldosteron sistema i predstavljaju često propisane lekova za sniženje pritiska, posebno kod pacijenata sa insuficijencijom bubrega. U ovom radu, za osam odabranih ACE inhibitora (enalapril, kvinapril, fosinopril, ramipril, benazepril, perindopril, moeksipril, trandolapril) ispitan je odnos između osobina njihovih molekula i njihove eliminacije putem bubrega. Za ispitivane inhibitore ACE korišć enjem različitih softverskih paketa izračunate su vrednosti nekoliko molekulskih deskriptora: rastvorljivost u vodi (logS), elektronski deskriptor - polarna površina molekula (PSA), molekulska masa (Mw), geometrijski deskriptor - volumen molekula (Vol) kao i deskriptor lipofilnosti (logP vrednosti). Primenom proste linearne regresione analize najbolja zavisnost dobijena je između podataka o eliminaciji inhibitora ACE putem bubrega i deskriptora lipofilnosti, AClogP vrednosti (R2 = 0.5742). U sledećoj fazi istraživanja primenjena je metoda višestruke regresione analize (MLR) kako bi se dobila bolja zavisnost između podataka o eliminaciji ACE inhibitora putem bubrega i njihove lipofilnosti (AClogP vrednosti) uz primenu dodatnog molekulskog deskriptora kao nezavisno promenljive. Dobre korelacije su dobijene između podataka o eliminaciji putem bubrega i deskriptora lipofilnosti AClogP, uz primenu molekulske mase (R2 = 0.7425) ili zapremine molekula (R2 = 0.7224) kao nezavisno promenljive. Mogućnost primene izračunatih molekulskih deskriptora u proceni eliminacije lekova je od velikog značaja u njihovom istraživanju.
PB  - Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac
T2  - Serbian Journal of Experimental and Clinical Research
T1  - The evaluation of angiotensin-converting enzyme inhibitors in renal elimination with selected molecular descriptors
T1  - Procena renalne eliminacije inhibitora enzima koji konvertuje angiotensin sa odabranim molekulskim deskriptorima
VL  - 18
IS  - 2
SP  - 119
EP  - 123
DO  - 10.1515/SJECR-2016-0100
ER  - 
@article{
author = "Trbojević, Jovana and Odović, Jadranka and Trbojević-Stanković, Jasna and Stojimirović, Biljana and Jelić, Ratomir",
year = "2017",
abstract = "Angiotensin-converting enzyme (ACE) inhibitors modulate the function of the renin-angiotensin-aldosterone system, and they are commonly prescribed antihypertensive drugs especially in patients with renal failure. In this study, the relationships between several molecular properties of eight ACE inhibitors (enalapril, quinapril, fosinopril, ramipril, benazepril, perindopril, moexipril, trandolapril) and their renal elimination data, from relevant literature, were investigated. The 'molecular descriptors of the ACE inhibitors, which included aqueous solubility data (logS); an electronic descriptor, polar surface area (PSA);, a constitutional parameter, molecular mass (Mr); and a geometric descriptor, volume value (Vol), as well as lipophilicity descriptors (logP values), were calculated using different software packages. Simple linear regression analysis showed the best correlation between renal elimination data and lipophilicity descriptor AClogP values (R2 = 0.5742). In the next stage of the study, multiple linear regression was applied to assess a higher correlation between the ACE inhibitors' renal elimination data and lipophilicity, AClogP, with one additional descriptor as an independent variable. Good correlations were established between renal elimination data from the literature and the AClogP lipophilicity descriptor using the constitutional parameter (molecular mass (R2 = 0.7425)) or the geometric descriptor (volume value (R2 = 0.7224)) as an independent variable. the application of computed molecular descriptors in evaluating drug elimination is of great importance in drug research., Inhibitori enzima koji konvertuje angiotenzin (ACE) modifikuju funkciju renin-angiotenzin-aldosteron sistema i predstavljaju često propisane lekova za sniženje pritiska, posebno kod pacijenata sa insuficijencijom bubrega. U ovom radu, za osam odabranih ACE inhibitora (enalapril, kvinapril, fosinopril, ramipril, benazepril, perindopril, moeksipril, trandolapril) ispitan je odnos između osobina njihovih molekula i njihove eliminacije putem bubrega. Za ispitivane inhibitore ACE korišć enjem različitih softverskih paketa izračunate su vrednosti nekoliko molekulskih deskriptora: rastvorljivost u vodi (logS), elektronski deskriptor - polarna površina molekula (PSA), molekulska masa (Mw), geometrijski deskriptor - volumen molekula (Vol) kao i deskriptor lipofilnosti (logP vrednosti). Primenom proste linearne regresione analize najbolja zavisnost dobijena je između podataka o eliminaciji inhibitora ACE putem bubrega i deskriptora lipofilnosti, AClogP vrednosti (R2 = 0.5742). U sledećoj fazi istraživanja primenjena je metoda višestruke regresione analize (MLR) kako bi se dobila bolja zavisnost između podataka o eliminaciji ACE inhibitora putem bubrega i njihove lipofilnosti (AClogP vrednosti) uz primenu dodatnog molekulskog deskriptora kao nezavisno promenljive. Dobre korelacije su dobijene između podataka o eliminaciji putem bubrega i deskriptora lipofilnosti AClogP, uz primenu molekulske mase (R2 = 0.7425) ili zapremine molekula (R2 = 0.7224) kao nezavisno promenljive. Mogućnost primene izračunatih molekulskih deskriptora u proceni eliminacije lekova je od velikog značaja u njihovom istraživanju.",
publisher = "Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac",
journal = "Serbian Journal of Experimental and Clinical Research",
title = "The evaluation of angiotensin-converting enzyme inhibitors in renal elimination with selected molecular descriptors, Procena renalne eliminacije inhibitora enzima koji konvertuje angiotensin sa odabranim molekulskim deskriptorima",
volume = "18",
number = "2",
pages = "119-123",
doi = "10.1515/SJECR-2016-0100"
}
Trbojević, J., Odović, J., Trbojević-Stanković, J., Stojimirović, B.,& Jelić, R.. (2017). The evaluation of angiotensin-converting enzyme inhibitors in renal elimination with selected molecular descriptors. in Serbian Journal of Experimental and Clinical Research
Univerzitet u Kragujevcu - Fakultet medicinskih nauka, Kragujevac., 18(2), 119-123.
https://doi.org/10.1515/SJECR-2016-0100
Trbojević J, Odović J, Trbojević-Stanković J, Stojimirović B, Jelić R. The evaluation of angiotensin-converting enzyme inhibitors in renal elimination with selected molecular descriptors. in Serbian Journal of Experimental and Clinical Research. 2017;18(2):119-123.
doi:10.1515/SJECR-2016-0100 .
Trbojević, Jovana, Odović, Jadranka, Trbojević-Stanković, Jasna, Stojimirović, Biljana, Jelić, Ratomir, "The evaluation of angiotensin-converting enzyme inhibitors in renal elimination with selected molecular descriptors" in Serbian Journal of Experimental and Clinical Research, 18, no. 2 (2017):119-123,
https://doi.org/10.1515/SJECR-2016-0100 . .
2
1

Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists

Trbojević, Jovana B.; Odović, Jadranka; Trbojević-Stanković, Jasna; Nešić, Dejan M.; Jelić, Ratomir

(Srpsko biološko društvo, Beograd, i dr., 2016)

TY  - JOUR
AU  - Trbojević, Jovana B.
AU  - Odović, Jadranka
AU  - Trbojević-Stanković, Jasna
AU  - Nešić, Dejan M.
AU  - Jelić, Ratomir
PY  - 2016
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2536
AB  - In the present study, we investigated the relationships between several molecular properties and bioavailability data for seven of the most commonly prescribed angiotensin II receptor antagonists (also known as angiotensin II receptor blockers (ARBs) or sartans), candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan and valsartan. The molecular descriptors of ARBs are:, aqueous solubility (logS values), polar surface area (PSA), molecular weight (Mw), volume value (Vol), lipophilicity (logP values) and the acidity descriptor (pK(a1)). The respective descriptors were calculated using four different software packages. The relevant bioavailability data were obtained from literature. Among calculated molecular descriptors, simple linear regression analysis showed the best correlation between bioavailability data and the lipophilicity descriptor, logP (R-2 = 0.568). Multiple linear regression established good correlations between bioavailability and the lipophilicity descriptor, logP, using the molecular weight, Mw, or the acidity descriptor, pK(a1), as an additional, independent variable (with R-2 = 0.661 and 0.682, respectively). Finally, excluding candesartan from the calculations resulted in a very good correlation (R-2 = 0.852) between the remaining ARB bioavailability and molecular descriptors MlogP and Mw as independent variables, determined by multiple linear regression.
PB  - Srpsko biološko društvo, Beograd, i dr.
T2  - Archives of Biological Sciences
T1  - Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists
VL  - 68
IS  - 2
SP  - 273
EP  - 278
DO  - 10.2298/ABS150915015T
ER  - 
@article{
author = "Trbojević, Jovana B. and Odović, Jadranka and Trbojević-Stanković, Jasna and Nešić, Dejan M. and Jelić, Ratomir",
year = "2016",
abstract = "In the present study, we investigated the relationships between several molecular properties and bioavailability data for seven of the most commonly prescribed angiotensin II receptor antagonists (also known as angiotensin II receptor blockers (ARBs) or sartans), candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan and valsartan. The molecular descriptors of ARBs are:, aqueous solubility (logS values), polar surface area (PSA), molecular weight (Mw), volume value (Vol), lipophilicity (logP values) and the acidity descriptor (pK(a1)). The respective descriptors were calculated using four different software packages. The relevant bioavailability data were obtained from literature. Among calculated molecular descriptors, simple linear regression analysis showed the best correlation between bioavailability data and the lipophilicity descriptor, logP (R-2 = 0.568). Multiple linear regression established good correlations between bioavailability and the lipophilicity descriptor, logP, using the molecular weight, Mw, or the acidity descriptor, pK(a1), as an additional, independent variable (with R-2 = 0.661 and 0.682, respectively). Finally, excluding candesartan from the calculations resulted in a very good correlation (R-2 = 0.852) between the remaining ARB bioavailability and molecular descriptors MlogP and Mw as independent variables, determined by multiple linear regression.",
publisher = "Srpsko biološko društvo, Beograd, i dr.",
journal = "Archives of Biological Sciences",
title = "Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists",
volume = "68",
number = "2",
pages = "273-278",
doi = "10.2298/ABS150915015T"
}
Trbojević, J. B., Odović, J., Trbojević-Stanković, J., Nešić, D. M.,& Jelić, R.. (2016). Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists. in Archives of Biological Sciences
Srpsko biološko društvo, Beograd, i dr.., 68(2), 273-278.
https://doi.org/10.2298/ABS150915015T
Trbojević JB, Odović J, Trbojević-Stanković J, Nešić DM, Jelić R. Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists. in Archives of Biological Sciences. 2016;68(2):273-278.
doi:10.2298/ABS150915015T .
Trbojević, Jovana B., Odović, Jadranka, Trbojević-Stanković, Jasna, Nešić, Dejan M., Jelić, Ratomir, "Relationship between the bioavailability and molecular properties of angiotensin II receptor antagonists" in Archives of Biological Sciences, 68, no. 2 (2016):273-278,
https://doi.org/10.2298/ABS150915015T . .
3
3
4

Estimation of angiotensin-converting enzyme inhibitors protein binding degree using chromatographic hydrophobicity data

Trbojević-Stanković, Jasna; Aleksić, Mirjana; Odović, Jadranka

(Srpsko lekarsko društvo, Beograd, 2015)

TY  - JOUR
AU  - Trbojević-Stanković, Jasna
AU  - Aleksić, Mirjana
AU  - Odović, Jadranka
PY  - 2015
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2485
AB  - Introduction Angiotensin-converting enzyme (ACE) inhibitors represent a significant group of drugs primarily used in the treatment of hypertension and congestive heart failure. Objective Selected ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril) were studied in order to establish a fast and easy estimation method of their plasma protein binding degree based on their lipophilicity data. Methods Chromatographic hydrophobicity data (parameter C0) were obtained on cellulose layers under conditions of normal-phase thin-layer chromatography (NPTLC), using different binary solvent systems. The ACE inhibitors lipophilicity descriptors (logP) values were calculated using the software package Virtual Computational Chemistry Laboratory. The ACE inhibitors plasma protein binding data were collected from relevant literature. Results ACE inhibitors protein binding data varied from negligible (lisinopril) to 99% (fosinopril). The calculated lipophilicity descriptors, logPKOWWIN values ranged from -0.94 (lisinopril) to 6.61 (fosinopril). Good correlations were established between plasma protein binding values and calculated logPKOWWIN values (R2=0.8026) as well as chromatographic hydrophobicity data, C0 parameters (R2=0.7662). Even though good correlation coefficients (R2) were obtained in both relations, unacceptable probability value with p>0.05 was found in relation between protein binding data and calculated logPKOWWIN values. Subsequently, taking into consideration the request for probability value lower than 0.05, a better relationship was observed between protein binding data and chromatographically obtained hydrophobicity parameters C0 values. Conclusion Cellulose layers are easily available and cost effective sorbent to assess hydrophobicity. Experimentally obtained data on ACE inhibitors hydrophobicity and plasma protein binding estimation are important parameters in evaluating bioavailability of these drugs.
AB  - Uvod Inhibitori angiotenzin-konvertujućeg enzima (ACE) su velika grupa lekova izuzetno značajna u lečenju hipertenzije. Cilj rada Analizirani su izabrani ASE-inhibitori (enalapril, kvinapril, fozinopril, lizinopril, cilazapril) radi postavljanja novog pristupa pogodnog za brzu i jednostavnu procenu vezivanja za proteine plazme na osnovu njihovih parametara lipofilnosti. Metode rada Hromatografski parametri hidrofobnosti (vrednosti C0) dobijeni su u uslovima normalnofazne hromatografije (NPTLC) na tankom sloju celuloze, uz korišćenje dvokomponentnih mobilnih faza. Vrednosti parametara lipofilnosti ACE-inhibitora (logP) izračunate su pomoću softverskog paketa Virtual Computational Chemistry Laboratory. Podaci o procentu vezivanja ACE-inhibitora za proteine plazme preuzeti su iz odgovarajuće literature. Rezultati Procenat vezivanja za proteine plazme ispitivanih ASE-inhibitora bio je u opsegu od 0% (lizinopril) do 99% (fozinopril), dok su vrednosti izračunatih parametara lipofilnosti (vrednosti logP KOWWIN) bile od -0,94 (lizinopril) do 6,61 (fozinopril). Dobijene su zadovoljavajuće korelacije između vrednosti vezivanja ASE- inhibitora za proteine plazme i izračunatih logP KOWWIN vrednosti (koeficijent korelacije R2 bio je 0,8026), kao i hromatografski dobijenih parametara hidrofobnosti, C0 (R2=0,7662). Iako su zadovoljavajući koeficijenti korelacije dobijeni u obe relacije, neprihvatljive vrednosti verovatnoće (p>0,05) dobijene su za zavisnost između vrednosti vezivanja ASE-inhibitora za proteine plazme i izračunatih logP KOWWIN vrednosti. Stoga se, uzimajući u obzir zahtev da vrednosti verovatnoće budu niže od 0,05, boljom može smatrati zavisnost između vrednosti vezivanja ASE-inhibitora za proteine plazme i hromatografski dobijenih parametara hidrofobnosti. Zaključak Primena hidrofobnih parametara ASE-inhibitora eksperimentalno dobijenih u uslovima normalnofazne hromatografije na tankom sloju celuloze za procenu stepena njihovog vezivanja za proteine plazme značajna je za razvoj i ispitivanje lekova ove grupe i procenu njihove bioraspoloživosti.
PB  - Srpsko lekarsko društvo, Beograd
T2  - Srpski arhiv za celokupno lekarstvo
T1  - Estimation of angiotensin-converting enzyme inhibitors protein binding degree using chromatographic hydrophobicity data
T1  - Procena stepena vezivanja inhibitora angiotenzin-konvertujućeg enzima za proteine plazme primenom hromatografski dobijenih parametara hidrofobnosti
VL  - 143
IS  - 1-2
SP  - 50
EP  - 55
DO  - 10.2298/SARH1502050T
ER  - 
@article{
author = "Trbojević-Stanković, Jasna and Aleksić, Mirjana and Odović, Jadranka",
year = "2015",
abstract = "Introduction Angiotensin-converting enzyme (ACE) inhibitors represent a significant group of drugs primarily used in the treatment of hypertension and congestive heart failure. Objective Selected ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril) were studied in order to establish a fast and easy estimation method of their plasma protein binding degree based on their lipophilicity data. Methods Chromatographic hydrophobicity data (parameter C0) were obtained on cellulose layers under conditions of normal-phase thin-layer chromatography (NPTLC), using different binary solvent systems. The ACE inhibitors lipophilicity descriptors (logP) values were calculated using the software package Virtual Computational Chemistry Laboratory. The ACE inhibitors plasma protein binding data were collected from relevant literature. Results ACE inhibitors protein binding data varied from negligible (lisinopril) to 99% (fosinopril). The calculated lipophilicity descriptors, logPKOWWIN values ranged from -0.94 (lisinopril) to 6.61 (fosinopril). Good correlations were established between plasma protein binding values and calculated logPKOWWIN values (R2=0.8026) as well as chromatographic hydrophobicity data, C0 parameters (R2=0.7662). Even though good correlation coefficients (R2) were obtained in both relations, unacceptable probability value with p>0.05 was found in relation between protein binding data and calculated logPKOWWIN values. Subsequently, taking into consideration the request for probability value lower than 0.05, a better relationship was observed between protein binding data and chromatographically obtained hydrophobicity parameters C0 values. Conclusion Cellulose layers are easily available and cost effective sorbent to assess hydrophobicity. Experimentally obtained data on ACE inhibitors hydrophobicity and plasma protein binding estimation are important parameters in evaluating bioavailability of these drugs., Uvod Inhibitori angiotenzin-konvertujućeg enzima (ACE) su velika grupa lekova izuzetno značajna u lečenju hipertenzije. Cilj rada Analizirani su izabrani ASE-inhibitori (enalapril, kvinapril, fozinopril, lizinopril, cilazapril) radi postavljanja novog pristupa pogodnog za brzu i jednostavnu procenu vezivanja za proteine plazme na osnovu njihovih parametara lipofilnosti. Metode rada Hromatografski parametri hidrofobnosti (vrednosti C0) dobijeni su u uslovima normalnofazne hromatografije (NPTLC) na tankom sloju celuloze, uz korišćenje dvokomponentnih mobilnih faza. Vrednosti parametara lipofilnosti ACE-inhibitora (logP) izračunate su pomoću softverskog paketa Virtual Computational Chemistry Laboratory. Podaci o procentu vezivanja ACE-inhibitora za proteine plazme preuzeti su iz odgovarajuće literature. Rezultati Procenat vezivanja za proteine plazme ispitivanih ASE-inhibitora bio je u opsegu od 0% (lizinopril) do 99% (fozinopril), dok su vrednosti izračunatih parametara lipofilnosti (vrednosti logP KOWWIN) bile od -0,94 (lizinopril) do 6,61 (fozinopril). Dobijene su zadovoljavajuće korelacije između vrednosti vezivanja ASE- inhibitora za proteine plazme i izračunatih logP KOWWIN vrednosti (koeficijent korelacije R2 bio je 0,8026), kao i hromatografski dobijenih parametara hidrofobnosti, C0 (R2=0,7662). Iako su zadovoljavajući koeficijenti korelacije dobijeni u obe relacije, neprihvatljive vrednosti verovatnoće (p>0,05) dobijene su za zavisnost između vrednosti vezivanja ASE-inhibitora za proteine plazme i izračunatih logP KOWWIN vrednosti. Stoga se, uzimajući u obzir zahtev da vrednosti verovatnoće budu niže od 0,05, boljom može smatrati zavisnost između vrednosti vezivanja ASE-inhibitora za proteine plazme i hromatografski dobijenih parametara hidrofobnosti. Zaključak Primena hidrofobnih parametara ASE-inhibitora eksperimentalno dobijenih u uslovima normalnofazne hromatografije na tankom sloju celuloze za procenu stepena njihovog vezivanja za proteine plazme značajna je za razvoj i ispitivanje lekova ove grupe i procenu njihove bioraspoloživosti.",
publisher = "Srpsko lekarsko društvo, Beograd",
journal = "Srpski arhiv za celokupno lekarstvo",
title = "Estimation of angiotensin-converting enzyme inhibitors protein binding degree using chromatographic hydrophobicity data, Procena stepena vezivanja inhibitora angiotenzin-konvertujućeg enzima za proteine plazme primenom hromatografski dobijenih parametara hidrofobnosti",
volume = "143",
number = "1-2",
pages = "50-55",
doi = "10.2298/SARH1502050T"
}
Trbojević-Stanković, J., Aleksić, M.,& Odović, J.. (2015). Estimation of angiotensin-converting enzyme inhibitors protein binding degree using chromatographic hydrophobicity data. in Srpski arhiv za celokupno lekarstvo
Srpsko lekarsko društvo, Beograd., 143(1-2), 50-55.
https://doi.org/10.2298/SARH1502050T
Trbojević-Stanković J, Aleksić M, Odović J. Estimation of angiotensin-converting enzyme inhibitors protein binding degree using chromatographic hydrophobicity data. in Srpski arhiv za celokupno lekarstvo. 2015;143(1-2):50-55.
doi:10.2298/SARH1502050T .
Trbojević-Stanković, Jasna, Aleksić, Mirjana, Odović, Jadranka, "Estimation of angiotensin-converting enzyme inhibitors protein binding degree using chromatographic hydrophobicity data" in Srpski arhiv za celokupno lekarstvo, 143, no. 1-2 (2015):50-55,
https://doi.org/10.2298/SARH1502050T . .
2
1

The effect of the molecular properties of calcium channel blockers on their elimination route

Trbojević-Stanković, Jasna; Odović, Jadranka; Jelić, Ratomir; Nešić, Dejan M.; Stojimirović, Biljana

(Srpsko biološko društvo, Beograd, i dr., 2015)

TY  - JOUR
AU  - Trbojević-Stanković, Jasna
AU  - Odović, Jadranka
AU  - Jelić, Ratomir
AU  - Nešić, Dejan M.
AU  - Stojimirović, Biljana
PY  - 2015
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2356
AB  - Calcium channel blockers (CCBs) are among the most widely used drugs in cardiovascular medicine. In this study, nine CCBs (amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem) were investigated to assess the relationship between their molecular properties and elimination data obtained from literature. The descriptors of the molecular properties of CCBs were calculated using three software packages. The relationship between computed molecular properties and elimination data collected from relevant literature, initially investigated with simple linear regression analysis, showed poor correlation (R-2  lt  0.25). Application of molecular weight or volume data as additional independent variable, multiple linear regression (MLR) revealed better correlations (R-2 similar to 0.38) between CCB renal and fecal elimination data and their lipophilicity. Excluding nimodipine from the calculations resulted in more acceptable correlations. The best correlations were established after computed lipophilicity descriptor and molecular weight were applied (R-2 = 0.66 with acceptable probability value).
PB  - Srpsko biološko društvo, Beograd, i dr.
T2  - Archives of Biological Sciences
T1  - The effect of the molecular properties of calcium channel blockers on their elimination route
VL  - 67
IS  - 3
SP  - 801
EP  - 806
DO  - 10.2298/ABS150127039T
ER  - 
@article{
author = "Trbojević-Stanković, Jasna and Odović, Jadranka and Jelić, Ratomir and Nešić, Dejan M. and Stojimirović, Biljana",
year = "2015",
abstract = "Calcium channel blockers (CCBs) are among the most widely used drugs in cardiovascular medicine. In this study, nine CCBs (amlodipine, felodipine, isradipine, nicardipine, nifedipine, nimodipine, nisoldipine, verapamil and diltiazem) were investigated to assess the relationship between their molecular properties and elimination data obtained from literature. The descriptors of the molecular properties of CCBs were calculated using three software packages. The relationship between computed molecular properties and elimination data collected from relevant literature, initially investigated with simple linear regression analysis, showed poor correlation (R-2  lt  0.25). Application of molecular weight or volume data as additional independent variable, multiple linear regression (MLR) revealed better correlations (R-2 similar to 0.38) between CCB renal and fecal elimination data and their lipophilicity. Excluding nimodipine from the calculations resulted in more acceptable correlations. The best correlations were established after computed lipophilicity descriptor and molecular weight were applied (R-2 = 0.66 with acceptable probability value).",
publisher = "Srpsko biološko društvo, Beograd, i dr.",
journal = "Archives of Biological Sciences",
title = "The effect of the molecular properties of calcium channel blockers on their elimination route",
volume = "67",
number = "3",
pages = "801-806",
doi = "10.2298/ABS150127039T"
}
Trbojević-Stanković, J., Odović, J., Jelić, R., Nešić, D. M.,& Stojimirović, B.. (2015). The effect of the molecular properties of calcium channel blockers on their elimination route. in Archives of Biological Sciences
Srpsko biološko društvo, Beograd, i dr.., 67(3), 801-806.
https://doi.org/10.2298/ABS150127039T
Trbojević-Stanković J, Odović J, Jelić R, Nešić DM, Stojimirović B. The effect of the molecular properties of calcium channel blockers on their elimination route. in Archives of Biological Sciences. 2015;67(3):801-806.
doi:10.2298/ABS150127039T .
Trbojević-Stanković, Jasna, Odović, Jadranka, Jelić, Ratomir, Nešić, Dejan M., Stojimirović, Biljana, "The effect of the molecular properties of calcium channel blockers on their elimination route" in Archives of Biological Sciences, 67, no. 3 (2015):801-806,
https://doi.org/10.2298/ABS150127039T . .
3
4
5

The influence of certain molecular descriptors of fecal elimination of angiotensin II receptor antagonists

Trbojević-Stanković, Jasna; Odović, Jadranka; Jelić, Ratomir; Nešić, Dejan M.; Stojimirović, Biljana

(Srpsko biološko društvo, Beograd, i dr., 2015)

TY  - JOUR
AU  - Trbojević-Stanković, Jasna
AU  - Odović, Jadranka
AU  - Jelić, Ratomir
AU  - Nešić, Dejan M.
AU  - Stojimirović, Biljana
PY  - 2015
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2420
AB  - Angiotensin II receptor antagonists (ARBs) modulate the function of the renin-angiotensin-aldosterone system and are commonly prescribed antihypertensive drugs, especially in patients with renal failure. In this study, the relationship between several molecular properties of seven ARBs (candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan, valsartan) and their fecal elimination data obtained from the literature were investigated. The ARB molecular descriptors were calculated using three software packages. Simple linear regression analysis showed the best correlation between fecal elimination data and lipophilicity descriptor, ClogP values (R-2 = 0.725). Multiple linear regression was applied to examine the correlation of ARBs' fecal elimination data with their lipophilicity and one additional, calculated descriptor. The best correlation (R-2 = 0.909 with an acceptable probability value, P  lt  0.05) was established between the ARB fecal elimination data and their lipophilicity and aqueous solubility data. Applying computed molecular descriptors for evaluating drug elimination is of great importance in drug research.
PB  - Srpsko biološko društvo, Beograd, i dr.
T2  - Archives of Biological Sciences
T1  - The influence of certain molecular descriptors of fecal elimination of angiotensin II receptor antagonists
VL  - 67
IS  - 1
SP  - 103
EP  - 109
DO  - 10.2298/ABS141104011T
ER  - 
@article{
author = "Trbojević-Stanković, Jasna and Odović, Jadranka and Jelić, Ratomir and Nešić, Dejan M. and Stojimirović, Biljana",
year = "2015",
abstract = "Angiotensin II receptor antagonists (ARBs) modulate the function of the renin-angiotensin-aldosterone system and are commonly prescribed antihypertensive drugs, especially in patients with renal failure. In this study, the relationship between several molecular properties of seven ARBs (candesartan, eprosartan, irbesartan, losartan, olmesartan, telmisartan, valsartan) and their fecal elimination data obtained from the literature were investigated. The ARB molecular descriptors were calculated using three software packages. Simple linear regression analysis showed the best correlation between fecal elimination data and lipophilicity descriptor, ClogP values (R-2 = 0.725). Multiple linear regression was applied to examine the correlation of ARBs' fecal elimination data with their lipophilicity and one additional, calculated descriptor. The best correlation (R-2 = 0.909 with an acceptable probability value, P  lt  0.05) was established between the ARB fecal elimination data and their lipophilicity and aqueous solubility data. Applying computed molecular descriptors for evaluating drug elimination is of great importance in drug research.",
publisher = "Srpsko biološko društvo, Beograd, i dr.",
journal = "Archives of Biological Sciences",
title = "The influence of certain molecular descriptors of fecal elimination of angiotensin II receptor antagonists",
volume = "67",
number = "1",
pages = "103-109",
doi = "10.2298/ABS141104011T"
}
Trbojević-Stanković, J., Odović, J., Jelić, R., Nešić, D. M.,& Stojimirović, B.. (2015). The influence of certain molecular descriptors of fecal elimination of angiotensin II receptor antagonists. in Archives of Biological Sciences
Srpsko biološko društvo, Beograd, i dr.., 67(1), 103-109.
https://doi.org/10.2298/ABS141104011T
Trbojević-Stanković J, Odović J, Jelić R, Nešić DM, Stojimirović B. The influence of certain molecular descriptors of fecal elimination of angiotensin II receptor antagonists. in Archives of Biological Sciences. 2015;67(1):103-109.
doi:10.2298/ABS141104011T .
Trbojević-Stanković, Jasna, Odović, Jadranka, Jelić, Ratomir, Nešić, Dejan M., Stojimirović, Biljana, "The influence of certain molecular descriptors of fecal elimination of angiotensin II receptor antagonists" in Archives of Biological Sciences, 67, no. 1 (2015):103-109,
https://doi.org/10.2298/ABS141104011T . .
1
3
3

Evaluation of Angiotensin-Converting Enzyme Inhibitor's Absorption with Retention Data of Micellar Thin-Layer Chromatography and Suitable Molecular Descriptor

Odović, Jadranka; Marković, Bojan; Vladimirov, Sote; Karljiković-Rajić, Katarina

(Oxford Univ Press Inc, Cary, 2015)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Marković, Bojan
AU  - Vladimirov, Sote
AU  - Karljiković-Rajić, Katarina
PY  - 2015
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2354
AB  - Twelve angiotensin-converting enzyme (ACE) inhibitors were studied to evaluate correlation between their absorption (ABS) data available in the literature (22-96%) and hydrophobicity parameters (k(m) and P-m/w) obtained in micellar thin-layer chromatography (MTLC) using Brij 35. The theoretical considerations showed that the geometric molecular descriptor-volume value (Vol) should be considered as an independent variable simultaneously with calculated hydrophobicity parameters in multiple linear regression analysis to obtain reliable correlation between ACE inhibitor's absorption and lipophilicity (calculated KOWWINlog P) and that captopril should be excluded from further correlations. The results of MTLC confirmed that between the two hydrophobicity parameters k(m) and P-m/w, for absorption prediction of 11 ACE inhibitors, the micelle-water partition coefficient P-m/w provided higher correlation (R-2 = 0.756), while for the k(m) parameter R-2 = 0.612 was obtained. The micelle-water partition coefficient Pm/w could be considered as analogous to hydrophobicity parameter C-0 from reversed-phase thin-layer chromatography. Dissimilar retention behavior of lisinopril indicated its lowest non-polar interaction with micelle, because of its di-acid form. The proposed model which included ACE inhibitors on the opposite site of lipophilicity-lisinopril and fosinopril (KOWWINlog P = -0.96 and KOWWINlog P = 6.61, respectively), both with similar absorption values (25 and 36%, respectively), could indicate that absorption of investigated compounds occurs via two different mechanisms: active and passive transport.
PB  - Oxford Univ Press Inc, Cary
T2  - Journal of Chromatographic Science
T1  - Evaluation of Angiotensin-Converting Enzyme Inhibitor's Absorption with Retention Data of Micellar Thin-Layer Chromatography and Suitable Molecular Descriptor
VL  - 53
IS  - 10
SP  - 1780
EP  - 1785
DO  - 10.1093/chromsci/bmv091
ER  - 
@article{
author = "Odović, Jadranka and Marković, Bojan and Vladimirov, Sote and Karljiković-Rajić, Katarina",
year = "2015",
abstract = "Twelve angiotensin-converting enzyme (ACE) inhibitors were studied to evaluate correlation between their absorption (ABS) data available in the literature (22-96%) and hydrophobicity parameters (k(m) and P-m/w) obtained in micellar thin-layer chromatography (MTLC) using Brij 35. The theoretical considerations showed that the geometric molecular descriptor-volume value (Vol) should be considered as an independent variable simultaneously with calculated hydrophobicity parameters in multiple linear regression analysis to obtain reliable correlation between ACE inhibitor's absorption and lipophilicity (calculated KOWWINlog P) and that captopril should be excluded from further correlations. The results of MTLC confirmed that between the two hydrophobicity parameters k(m) and P-m/w, for absorption prediction of 11 ACE inhibitors, the micelle-water partition coefficient P-m/w provided higher correlation (R-2 = 0.756), while for the k(m) parameter R-2 = 0.612 was obtained. The micelle-water partition coefficient Pm/w could be considered as analogous to hydrophobicity parameter C-0 from reversed-phase thin-layer chromatography. Dissimilar retention behavior of lisinopril indicated its lowest non-polar interaction with micelle, because of its di-acid form. The proposed model which included ACE inhibitors on the opposite site of lipophilicity-lisinopril and fosinopril (KOWWINlog P = -0.96 and KOWWINlog P = 6.61, respectively), both with similar absorption values (25 and 36%, respectively), could indicate that absorption of investigated compounds occurs via two different mechanisms: active and passive transport.",
publisher = "Oxford Univ Press Inc, Cary",
journal = "Journal of Chromatographic Science",
title = "Evaluation of Angiotensin-Converting Enzyme Inhibitor's Absorption with Retention Data of Micellar Thin-Layer Chromatography and Suitable Molecular Descriptor",
volume = "53",
number = "10",
pages = "1780-1785",
doi = "10.1093/chromsci/bmv091"
}
Odović, J., Marković, B., Vladimirov, S.,& Karljiković-Rajić, K.. (2015). Evaluation of Angiotensin-Converting Enzyme Inhibitor's Absorption with Retention Data of Micellar Thin-Layer Chromatography and Suitable Molecular Descriptor. in Journal of Chromatographic Science
Oxford Univ Press Inc, Cary., 53(10), 1780-1785.
https://doi.org/10.1093/chromsci/bmv091
Odović J, Marković B, Vladimirov S, Karljiković-Rajić K. Evaluation of Angiotensin-Converting Enzyme Inhibitor's Absorption with Retention Data of Micellar Thin-Layer Chromatography and Suitable Molecular Descriptor. in Journal of Chromatographic Science. 2015;53(10):1780-1785.
doi:10.1093/chromsci/bmv091 .
Odović, Jadranka, Marković, Bojan, Vladimirov, Sote, Karljiković-Rajić, Katarina, "Evaluation of Angiotensin-Converting Enzyme Inhibitor's Absorption with Retention Data of Micellar Thin-Layer Chromatography and Suitable Molecular Descriptor" in Journal of Chromatographic Science, 53, no. 10 (2015):1780-1785,
https://doi.org/10.1093/chromsci/bmv091 . .
3
2
3

In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors

Odović, Jadranka; Trbojević-Stanković, Jasna

(Univerzitet u Nišu - Medicinski fakultet, Niš, 2014)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Trbojević-Stanković, Jasna
PY  - 2014
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2265
AB  - The discovery of new pharmacologically active substances and drugs modeling led to necessity of predicting drugs properties and its ADME data. Angiotensin II receptor antagonists are a group of pharmaceuticals which modulate the renin-angiotensinaldosterone system and today represent the most commonly prescribed antihypertensive drugs. The aim of this study was to compare different molecular properties of seven angiotensin II receptor antagonists / blockers (ARBs), (eprosartan, irbesartan, losartan, olmesartan, telmisartan, valsartan) and their plasma protein binding (PPB) data. Several ARBs molecular descriptors were calculated using software package Molinspiration Depiction Software as well as Virtual Computational Chemistry Laboratory (electronic descriptor - PSA, constitutional parameter - Mw, geometric descriptor - Vol, lipophilicity descriptors - logP values, aqueous solubility data - logS). The correlations between all collected descriptors and plasma protein binding data obtained from relevant literature were established. In the simple linear regression poor correlations were obtained in relationships between PPB data and all calculated molecular descriptors. In the next stage of the study multiple linear regression (MLR) was used for correlation of PPB data with two different descriptors as independent variables. The best correlation (R2=0.70 with P lt 0.05) was established between PPB data and molecular weight with addition of volume values as independent variables. The possible application of computed molecular descriptors in drugs protein binding evaluation can be of great importance in drug research.
AB  - Ispitivanje novih farmakološki aktivnih supstanci i modeliranje lekova dovelo je do neophodnosti predviđanja osobina leka. Cilj istraživanja bio je da se uporede izračunati molekulski deskriptori sedam antagonista receptora angiotenzina II (ARBs), (eprosartan, irbesartan, losartan, olmesartan, telmisartan, valsartan) sa dostupnim podacima njihovog vezivanja za proteine plazme (PPB). Molekulski deskriptori ispitivanih ARBs izračunati su korišćenjem softverskih paketa Molinspiration Depiction Software i Virtual Computational Chemistry Laboratory. Ispitane su korelacije između izračunatih deskriptora i vrednosti vezivanja za proteine plazme odabranih lekova. Niske vrednosti korelacije (R2 lt 0,20) dobijene su poređenjem vrednosti PPB i izračunatih molekulskih deskriptora (logP vrednosti, logS vrednosti, vrednosti Vol, molekulske mase Mr i vrednosti polarne površine molekula PSA). U sledećoj fazi istraživanja, primenom višestruke regresione analize (MLR), ispitana je zavisnost PPB podataka od dva različita molekulska deskriptora kao nezavisnih promenljivih. Najbolja korelacija (R2=0,70 i P lt 0,05) uspostavljena je između PPB podataka i molekulske mase, uz dodatak vrednosti Vol kao nezavisnih promenljivih. Mogućnost primene izračunatih molekulskih deskriptora u proceni vrednosti vezivanja ispitivanih lekova za proteine plazme od velikog je značaja za razvoj i ispitivanje novih lekova.
PB  - Univerzitet u Nišu - Medicinski fakultet, Niš
T2  - Acta medica Medianae
T1  - In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors
T1  - In silico procena vezivanja za proteine plazme antagonista receptora angiotenzina II primenom izračunatih molekulskih deskriptora
VL  - 53
IS  - 1
SP  - 19
EP  - 24
DO  - 10.5633/amm.2014.0104
ER  - 
@article{
author = "Odović, Jadranka and Trbojević-Stanković, Jasna",
year = "2014",
abstract = "The discovery of new pharmacologically active substances and drugs modeling led to necessity of predicting drugs properties and its ADME data. Angiotensin II receptor antagonists are a group of pharmaceuticals which modulate the renin-angiotensinaldosterone system and today represent the most commonly prescribed antihypertensive drugs. The aim of this study was to compare different molecular properties of seven angiotensin II receptor antagonists / blockers (ARBs), (eprosartan, irbesartan, losartan, olmesartan, telmisartan, valsartan) and their plasma protein binding (PPB) data. Several ARBs molecular descriptors were calculated using software package Molinspiration Depiction Software as well as Virtual Computational Chemistry Laboratory (electronic descriptor - PSA, constitutional parameter - Mw, geometric descriptor - Vol, lipophilicity descriptors - logP values, aqueous solubility data - logS). The correlations between all collected descriptors and plasma protein binding data obtained from relevant literature were established. In the simple linear regression poor correlations were obtained in relationships between PPB data and all calculated molecular descriptors. In the next stage of the study multiple linear regression (MLR) was used for correlation of PPB data with two different descriptors as independent variables. The best correlation (R2=0.70 with P lt 0.05) was established between PPB data and molecular weight with addition of volume values as independent variables. The possible application of computed molecular descriptors in drugs protein binding evaluation can be of great importance in drug research., Ispitivanje novih farmakološki aktivnih supstanci i modeliranje lekova dovelo je do neophodnosti predviđanja osobina leka. Cilj istraživanja bio je da se uporede izračunati molekulski deskriptori sedam antagonista receptora angiotenzina II (ARBs), (eprosartan, irbesartan, losartan, olmesartan, telmisartan, valsartan) sa dostupnim podacima njihovog vezivanja za proteine plazme (PPB). Molekulski deskriptori ispitivanih ARBs izračunati su korišćenjem softverskih paketa Molinspiration Depiction Software i Virtual Computational Chemistry Laboratory. Ispitane su korelacije između izračunatih deskriptora i vrednosti vezivanja za proteine plazme odabranih lekova. Niske vrednosti korelacije (R2 lt 0,20) dobijene su poređenjem vrednosti PPB i izračunatih molekulskih deskriptora (logP vrednosti, logS vrednosti, vrednosti Vol, molekulske mase Mr i vrednosti polarne površine molekula PSA). U sledećoj fazi istraživanja, primenom višestruke regresione analize (MLR), ispitana je zavisnost PPB podataka od dva različita molekulska deskriptora kao nezavisnih promenljivih. Najbolja korelacija (R2=0,70 i P lt 0,05) uspostavljena je između PPB podataka i molekulske mase, uz dodatak vrednosti Vol kao nezavisnih promenljivih. Mogućnost primene izračunatih molekulskih deskriptora u proceni vrednosti vezivanja ispitivanih lekova za proteine plazme od velikog je značaja za razvoj i ispitivanje novih lekova.",
publisher = "Univerzitet u Nišu - Medicinski fakultet, Niš",
journal = "Acta medica Medianae",
title = "In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors, In silico procena vezivanja za proteine plazme antagonista receptora angiotenzina II primenom izračunatih molekulskih deskriptora",
volume = "53",
number = "1",
pages = "19-24",
doi = "10.5633/amm.2014.0104"
}
Odović, J.,& Trbojević-Stanković, J.. (2014). In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors. in Acta medica Medianae
Univerzitet u Nišu - Medicinski fakultet, Niš., 53(1), 19-24.
https://doi.org/10.5633/amm.2014.0104
Odović J, Trbojević-Stanković J. In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors. in Acta medica Medianae. 2014;53(1):19-24.
doi:10.5633/amm.2014.0104 .
Odović, Jadranka, Trbojević-Stanković, Jasna, "In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors" in Acta medica Medianae, 53, no. 1 (2014):19-24,
https://doi.org/10.5633/amm.2014.0104 . .

In Vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors

Odović, Jadranka; Marković, Bojan; Vladimirov, Sote; Karljiković-Rajić, Katarina

(Elsevier Science BV, Amsterdam, 2014)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Marković, Bojan
AU  - Vladimirov, Sote
AU  - Karljiković-Rajić, Katarina
PY  - 2014
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2160
AB  - Set of nine angiotensin-converting enzyme inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril, benazepril, perindopril and moexipril) were studied to evaluate the correlation between their intestinal absorption and salting-out thin-layer chromatography hydrophobicity parameters (R-M(0) or C-0) obtained by ascending technique applying four different salts, (NH4)(2)SO4, NH4NO3, NH4Cl and NaCl as mobile phases. The best correlations between KOWWIN log P and both hydrophobicity parameters, R-M(0) and C-0, (R-2 > 0.850) were observed for NaCl (1.0-3.0 M) while the lowest R-2 was obtained for (NH4)(2)SO4 (0.649 and 0.427, respectively) due to highest salting-out effect of (NH4)(2)SO4. The effect of selected inorganic salts in the salting-out mobile phases, on the solutes solubility and retention was evaluated. The topological polar surface area should be selected as independent variable (only this molecular descriptor showed low correlation with chromatographic hydrophobicity parameters) for multiple linear regression analysis, to obtain reliable correlation between angiotensin-converting enzyme inhibitor's intestinal absorption data and salting-out thin-layer chromatograpic hydrophobicity parameters. These correlations provide R-2 =0.823 for R-M(0) or R-2 =0.799 for C-0 indicating good relationship between predicted and literature available intestinal absorption (ranged from 22% to 70%) of investigated angiotensin-converting enzyme inhibitors. The proposed in vitro model was checked with three in addition experimentally analyzed drugs, zofenopril, trandolapril and captoril. The satisfactory absorption prediction was obtained for zofenopril and trandolapril, while divergence established for captopril resulted from considerably different structure.
PB  - Elsevier Science BV, Amsterdam
T2  - Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences
T1  - In Vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors
VL  - 953
SP  - 102
EP  - 107
DO  - 10.1016/j.jchromb.2014.02.004
ER  - 
@article{
author = "Odović, Jadranka and Marković, Bojan and Vladimirov, Sote and Karljiković-Rajić, Katarina",
year = "2014",
abstract = "Set of nine angiotensin-converting enzyme inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril, benazepril, perindopril and moexipril) were studied to evaluate the correlation between their intestinal absorption and salting-out thin-layer chromatography hydrophobicity parameters (R-M(0) or C-0) obtained by ascending technique applying four different salts, (NH4)(2)SO4, NH4NO3, NH4Cl and NaCl as mobile phases. The best correlations between KOWWIN log P and both hydrophobicity parameters, R-M(0) and C-0, (R-2 > 0.850) were observed for NaCl (1.0-3.0 M) while the lowest R-2 was obtained for (NH4)(2)SO4 (0.649 and 0.427, respectively) due to highest salting-out effect of (NH4)(2)SO4. The effect of selected inorganic salts in the salting-out mobile phases, on the solutes solubility and retention was evaluated. The topological polar surface area should be selected as independent variable (only this molecular descriptor showed low correlation with chromatographic hydrophobicity parameters) for multiple linear regression analysis, to obtain reliable correlation between angiotensin-converting enzyme inhibitor's intestinal absorption data and salting-out thin-layer chromatograpic hydrophobicity parameters. These correlations provide R-2 =0.823 for R-M(0) or R-2 =0.799 for C-0 indicating good relationship between predicted and literature available intestinal absorption (ranged from 22% to 70%) of investigated angiotensin-converting enzyme inhibitors. The proposed in vitro model was checked with three in addition experimentally analyzed drugs, zofenopril, trandolapril and captoril. The satisfactory absorption prediction was obtained for zofenopril and trandolapril, while divergence established for captopril resulted from considerably different structure.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences",
title = "In Vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors",
volume = "953",
pages = "102-107",
doi = "10.1016/j.jchromb.2014.02.004"
}
Odović, J., Marković, B., Vladimirov, S.,& Karljiković-Rajić, K.. (2014). In Vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors. in Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences
Elsevier Science BV, Amsterdam., 953, 102-107.
https://doi.org/10.1016/j.jchromb.2014.02.004
Odović J, Marković B, Vladimirov S, Karljiković-Rajić K. In Vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors. in Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences. 2014;953:102-107.
doi:10.1016/j.jchromb.2014.02.004 .
Odović, Jadranka, Marković, Bojan, Vladimirov, Sote, Karljiković-Rajić, Katarina, "In Vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors" in Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences, 953 (2014):102-107,
https://doi.org/10.1016/j.jchromb.2014.02.004 . .
12
14
13

Micellar thin-layer chromatography in angiotensin-converting enzyme inhibitors lipophilicity evaluation

Odović, Jadranka; Marković, Bojan; Vladimirov, Sote; Karljiković-Rajić, Katarina

(Serbian Chemical Society, 2013)

TY  - CONF
AU  - Odović, Jadranka
AU  - Marković, Bojan
AU  - Vladimirov, Sote
AU  - Karljiković-Rajić, Katarina
PY  - 2013
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5363
AB  - Lipophilicity is one of the most significant biologically active substances properties that
attract considerable interest in medicinal chemistry, pharmacokinetics and environmental
science. Lipophilicity influences drugs absorption, distribution, binding to plasma proteins
and elimination. Thin-layer chromatography (TLC) is known as well established method for
lipophilicity evaluation. Angiotensin – converting enzyme (ACE) inhibitors represent the
group of drugs widely used in treatment of hypertension. In addition to our previous
chromatographic studies of ACE inhibitors [1] in this work lipophilicity of ten ACE inhibitors
under conditions of micellar thin-layer chromatography has been examined.
The substances investigated were: 1. Lisinopril, 2. Cilazapril, 3. Enalapril, 4. Perindopril, 5.
Ramipril, 6. Moexipril, 7. Benazepril, 8. Quinapril, 9. Zofenopril, 10. Fosinopril. The
experiments were performed on RP-TLC C18 plates, commercially available, (Art. 5559, E.
Merck, Germany). The plates were spotted with 1μL aliquots of freshly prepared ethanolic
solutions (about 2mg/mL) of investigated drugs. The mobile phase was composed of 20%
tetrahydrofuran (THF) and 80% phosphate buffer (pH = 6.8) with addition of
polyoxyethylene (23) lauryl ether, Brij 35, (0.01-0.06 M). After development, by ascending
technique, the detection was performed under UV lump. All investigations were
performed at room temperature (25  2 C).
The increase of micelle concentration in mobile phase led to decrease of retention of all
lipophilic investigated substances. Only lisinopril as very polar compound showed increase
of retention with increase of micelle concentration. The linear dependences between Brij
35 concentrations and RM values were established for all investigated compounds. From
these linear relationships, values of RM
0 (intercept) and m (slope) were obtained and C0
values for each solute were calculated (C0 = -RM
0/m).
The correlations between hydrophobicity parameters RM
0 or C0 and KOWWIN logP were
investigated. The very good correlation with r2 = 0.8606 was established for RM
0 and
KOWWIN logP relationship, while for C0 and KOWWIN logP significantly lower correlation
was obtained r2 = 0.2878 probably due to micelle’s concentration influence on solutes
retention rate.
PB  - Serbian Chemical Society
C3  - ICOSECS 8, 8th International Conference of the Chemical Societies of the South-East European Countries, BOOK OF ABSTRACTS, Belgrade, Serbia, June 27-29
T1  - Micellar thin-layer chromatography in angiotensin-converting enzyme inhibitors lipophilicity evaluation
SP  - 208
EP  - 208
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5363
ER  - 
@conference{
author = "Odović, Jadranka and Marković, Bojan and Vladimirov, Sote and Karljiković-Rajić, Katarina",
year = "2013",
abstract = "Lipophilicity is one of the most significant biologically active substances properties that
attract considerable interest in medicinal chemistry, pharmacokinetics and environmental
science. Lipophilicity influences drugs absorption, distribution, binding to plasma proteins
and elimination. Thin-layer chromatography (TLC) is known as well established method for
lipophilicity evaluation. Angiotensin – converting enzyme (ACE) inhibitors represent the
group of drugs widely used in treatment of hypertension. In addition to our previous
chromatographic studies of ACE inhibitors [1] in this work lipophilicity of ten ACE inhibitors
under conditions of micellar thin-layer chromatography has been examined.
The substances investigated were: 1. Lisinopril, 2. Cilazapril, 3. Enalapril, 4. Perindopril, 5.
Ramipril, 6. Moexipril, 7. Benazepril, 8. Quinapril, 9. Zofenopril, 10. Fosinopril. The
experiments were performed on RP-TLC C18 plates, commercially available, (Art. 5559, E.
Merck, Germany). The plates were spotted with 1μL aliquots of freshly prepared ethanolic
solutions (about 2mg/mL) of investigated drugs. The mobile phase was composed of 20%
tetrahydrofuran (THF) and 80% phosphate buffer (pH = 6.8) with addition of
polyoxyethylene (23) lauryl ether, Brij 35, (0.01-0.06 M). After development, by ascending
technique, the detection was performed under UV lump. All investigations were
performed at room temperature (25  2 C).
The increase of micelle concentration in mobile phase led to decrease of retention of all
lipophilic investigated substances. Only lisinopril as very polar compound showed increase
of retention with increase of micelle concentration. The linear dependences between Brij
35 concentrations and RM values were established for all investigated compounds. From
these linear relationships, values of RM
0 (intercept) and m (slope) were obtained and C0
values for each solute were calculated (C0 = -RM
0/m).
The correlations between hydrophobicity parameters RM
0 or C0 and KOWWIN logP were
investigated. The very good correlation with r2 = 0.8606 was established for RM
0 and
KOWWIN logP relationship, while for C0 and KOWWIN logP significantly lower correlation
was obtained r2 = 0.2878 probably due to micelle’s concentration influence on solutes
retention rate.",
publisher = "Serbian Chemical Society",
journal = "ICOSECS 8, 8th International Conference of the Chemical Societies of the South-East European Countries, BOOK OF ABSTRACTS, Belgrade, Serbia, June 27-29",
title = "Micellar thin-layer chromatography in angiotensin-converting enzyme inhibitors lipophilicity evaluation",
pages = "208-208",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5363"
}
Odović, J., Marković, B., Vladimirov, S.,& Karljiković-Rajić, K.. (2013). Micellar thin-layer chromatography in angiotensin-converting enzyme inhibitors lipophilicity evaluation. in ICOSECS 8, 8th International Conference of the Chemical Societies of the South-East European Countries, BOOK OF ABSTRACTS, Belgrade, Serbia, June 27-29
Serbian Chemical Society., 208-208.
https://hdl.handle.net/21.15107/rcub_farfar_5363
Odović J, Marković B, Vladimirov S, Karljiković-Rajić K. Micellar thin-layer chromatography in angiotensin-converting enzyme inhibitors lipophilicity evaluation. in ICOSECS 8, 8th International Conference of the Chemical Societies of the South-East European Countries, BOOK OF ABSTRACTS, Belgrade, Serbia, June 27-29. 2013;:208-208.
https://hdl.handle.net/21.15107/rcub_farfar_5363 .
Odović, Jadranka, Marković, Bojan, Vladimirov, Sote, Karljiković-Rajić, Katarina, "Micellar thin-layer chromatography in angiotensin-converting enzyme inhibitors lipophilicity evaluation" in ICOSECS 8, 8th International Conference of the Chemical Societies of the South-East European Countries, BOOK OF ABSTRACTS, Belgrade, Serbia, June 27-29 (2013):208-208,
https://hdl.handle.net/21.15107/rcub_farfar_5363 .

Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters

Odović, Jadranka; Marković, Bojan; Trbojević-Stanković, Jasna; Vladimirov, Sote; Karljiković-Rajić, Katarina

(Savez hemijskih inženjera, Beograd, 2013)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Marković, Bojan
AU  - Trbojević-Stanković, Jasna
AU  - Vladimirov, Sote
AU  - Karljiković-Rajić, Katarina
PY  - 2013
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2066
AB  - The aim of this study was to compare different calculation methods to determine the lipophilicity, expressed as log P value, of seven ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril and benazepril) with significantly different structures. Experimentally determined n-octanol/water partition coefficients, log PO/W values, were obtained from relevant literature. The correlations between all collected log P values were studied and the best agreement between calculated log P and experimentally determined log PO/W values was observed for KOWWINlog P or Milog P values (r = 0.999 or r = 0.974, respectively). The correlations between all collected log P values and chromatographically (reversed-phase thin-layer chromatography) obtained hydrophobicity parameters, RM 0 and C0, were established. Good correlations (r > 0.90) were obtained in the majority of relationships. The KOWWINlog P was established as the most suitable hydrophobicity parameter of the investigated group of ACE inhibitors with r = 0.981 for correlation with RM 0 and r = = 0.977 for correlation with C0 parameters (water-methanol mobile phase). Using multiple linear regressions, it was established that application of two selected log P, calculated by different mathematical approaches, led to very good correlation due to the benefits of both calculation methods. The good relationships indicate that the computed log P, with careful selection of method calculation, can be useful in ACE inhibitors lipophilicity evaluation, as a high-throughput screening technique.
AB  - U radu je analizirana lipofilnost sedam ACE inhibitora (enalapril, kvinapril, fosinopril, lizinopril, cilazapril, ramipril i benazepril) različitih hemijskih struktura. Primenom programskih paketa izračunato je deset različitih deskriptora lipofilnosti, log P vrednosti, za ispitivane ACE inhibitore dok su njihovi eksperimentalno određeni n-oktanol/voda koeficijenti raspodele (log PO/W) preuzeti iz stručne literature. Između izračunatih log P vrednosti uočene su značajne razlike zbog razlika u primenjenim metodama izračunavanja. Ispitane su korelacije između svih log P vrednosti. Najbolje slaganje je dobijeno između eksperimentalnih log PO/W i izračunatih KOWWINlog P (r = 0,999) ili Milog P vrednosti (r = 0,974). Analiziran je odnos između svih log P vrednosti i hromatografski određenih parametara hidrofobnosti, RM 0 i C0 (reverzno-fazna hromatografija na tankom sloju). Za najveći broj zavisnosti dobijene su dobre korelacije (r > 0,90). Najbolja korelacija dobijena je između KOWWINlog P i RM 0 (r = 0,981), odnosno C0 (r = 0,977) (voda-metanol mobilna faza). Multiplom linearnom regresionom analizom utvrđeno je da se primenom dve odabrane log P vrednosti, koje su izračunate korišćenjem različitih metoda, dobijaju odlične zavisnosti zahvaljujući prednostima primenjenih metoda. Dobijene dobre zavisnosti ukazuju da matematičke metode izračunavanja, kao tehnike za analizu velikog broja rezultata u kratkom vremenskom periodu (eng. high-throughput screening techniques), mogu biti od velike koristi u proceni lipofilnosti ACE inhibitora.
PB  - Savez hemijskih inženjera, Beograd
T2  - Hemijska industrija
T1  - Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters
T1  - Procena lipofilnosti ACE inhibitora primenom in silico i hromatografski dobijenih parametara hidrofobnosti
VL  - 67
IS  - 2
SP  - 209
EP  - 216
DO  - 10.2298/HEMIND120522078O
ER  - 
@article{
author = "Odović, Jadranka and Marković, Bojan and Trbojević-Stanković, Jasna and Vladimirov, Sote and Karljiković-Rajić, Katarina",
year = "2013",
abstract = "The aim of this study was to compare different calculation methods to determine the lipophilicity, expressed as log P value, of seven ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril and benazepril) with significantly different structures. Experimentally determined n-octanol/water partition coefficients, log PO/W values, were obtained from relevant literature. The correlations between all collected log P values were studied and the best agreement between calculated log P and experimentally determined log PO/W values was observed for KOWWINlog P or Milog P values (r = 0.999 or r = 0.974, respectively). The correlations between all collected log P values and chromatographically (reversed-phase thin-layer chromatography) obtained hydrophobicity parameters, RM 0 and C0, were established. Good correlations (r > 0.90) were obtained in the majority of relationships. The KOWWINlog P was established as the most suitable hydrophobicity parameter of the investigated group of ACE inhibitors with r = 0.981 for correlation with RM 0 and r = = 0.977 for correlation with C0 parameters (water-methanol mobile phase). Using multiple linear regressions, it was established that application of two selected log P, calculated by different mathematical approaches, led to very good correlation due to the benefits of both calculation methods. The good relationships indicate that the computed log P, with careful selection of method calculation, can be useful in ACE inhibitors lipophilicity evaluation, as a high-throughput screening technique., U radu je analizirana lipofilnost sedam ACE inhibitora (enalapril, kvinapril, fosinopril, lizinopril, cilazapril, ramipril i benazepril) različitih hemijskih struktura. Primenom programskih paketa izračunato je deset različitih deskriptora lipofilnosti, log P vrednosti, za ispitivane ACE inhibitore dok su njihovi eksperimentalno određeni n-oktanol/voda koeficijenti raspodele (log PO/W) preuzeti iz stručne literature. Između izračunatih log P vrednosti uočene su značajne razlike zbog razlika u primenjenim metodama izračunavanja. Ispitane su korelacije između svih log P vrednosti. Najbolje slaganje je dobijeno između eksperimentalnih log PO/W i izračunatih KOWWINlog P (r = 0,999) ili Milog P vrednosti (r = 0,974). Analiziran je odnos između svih log P vrednosti i hromatografski određenih parametara hidrofobnosti, RM 0 i C0 (reverzno-fazna hromatografija na tankom sloju). Za najveći broj zavisnosti dobijene su dobre korelacije (r > 0,90). Najbolja korelacija dobijena je između KOWWINlog P i RM 0 (r = 0,981), odnosno C0 (r = 0,977) (voda-metanol mobilna faza). Multiplom linearnom regresionom analizom utvrđeno je da se primenom dve odabrane log P vrednosti, koje su izračunate korišćenjem različitih metoda, dobijaju odlične zavisnosti zahvaljujući prednostima primenjenih metoda. Dobijene dobre zavisnosti ukazuju da matematičke metode izračunavanja, kao tehnike za analizu velikog broja rezultata u kratkom vremenskom periodu (eng. high-throughput screening techniques), mogu biti od velike koristi u proceni lipofilnosti ACE inhibitora.",
publisher = "Savez hemijskih inženjera, Beograd",
journal = "Hemijska industrija",
title = "Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters, Procena lipofilnosti ACE inhibitora primenom in silico i hromatografski dobijenih parametara hidrofobnosti",
volume = "67",
number = "2",
pages = "209-216",
doi = "10.2298/HEMIND120522078O"
}
Odović, J., Marković, B., Trbojević-Stanković, J., Vladimirov, S.,& Karljiković-Rajić, K.. (2013). Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters. in Hemijska industrija
Savez hemijskih inženjera, Beograd., 67(2), 209-216.
https://doi.org/10.2298/HEMIND120522078O
Odović J, Marković B, Trbojević-Stanković J, Vladimirov S, Karljiković-Rajić K. Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters. in Hemijska industrija. 2013;67(2):209-216.
doi:10.2298/HEMIND120522078O .
Odović, Jadranka, Marković, Bojan, Trbojević-Stanković, Jasna, Vladimirov, Sote, Karljiković-Rajić, Katarina, "Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters" in Hemijska industrija, 67, no. 2 (2013):209-216,
https://doi.org/10.2298/HEMIND120522078O . .
5
4
6

Correlation between angiotensin-converting enzyme inhibitors lipophilicity and protein binding data

Odović, Jadranka; Trbojević-Stanković, Jasna

(Univerzitet u Nišu - Medicinski fakultet, Niš, 2012)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Trbojević-Stanković, Jasna
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1826
AB  - Angiotensin-converting enzyme (ACE) inhibitors represent a significant group of drugs primarily used in the treatment of hypertension and congestive heart failure. In this research, seven ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril, benazepril) were studied to evaluate the relationship between their protein binding and calculated (logP values) or ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS) and reversed-phase thin-layer chromatography (RP-TLC) lipophilicity data (φ0, CHI or C0 parameters, respectively). Their protein binding data varied from negligible (lisinopril) to 99% (fosinopril), while calculated logPKOWWIN values ranged from -0.94 (lisinopril) to 6.61 (fosinopril). The good correlations were established between protein binding values and logPKOWWIN data (R2=0.7520) as well as between protein binding and chromatographic hydrophobicity data, φ0, CHI or C0 parameters (R2 were 0.6160, 0.6242 and 0.6547, respectively). The possible application of hydrophobicity data in drugs protein binding evaluation can be of great importance in drug bioavailability.
AB  - Inhibitori angiotenzin konvertujućeg enzima (ACE inhibitori) predstavljaju veliku grupu lekova koji nalaze primenu u lečenju hipertenzije. U ovom radu analizirano je sedam ACE inhibitora (enalapril, kvinapril, fosinopril, lizinopril, cilazapril, ramipril i benazepril) kako bi se ispitala zavisnost između njihovog vezivanja za proteine plazme i lipofilnosti. Korelisane su vrednosti izračunatih (logPKOWWIN) ili hromatografski (UHPLC-MS i RP-TLC) dobijenih (φ0, CHI ili C0) hidrofobnih parametara. Procenat vezivanja za proteine plazme ispitivanih ACE inhibitora kretao se u opsegu od 0% do 99%, dok su vrednosti izračunatih logPKOWWIN vrednosti iznosile od -0.94 do 6.61. Dobijene su zadovoljavajuće korelacije između vrednosti vezivanja ACE inhibitora za proteine plazme i izračunatih logPKOWWIN vrednosti (R2=0,7520) kao i hromatografski dobijenih parametara hidrofobnosti, φ0, CHI, C0 (R2: 0,6160; 0,6242; 0,6547). PR Projekat Ministarstva nauke Republike Srbije, br. TR 34031.
PB  - Univerzitet u Nišu - Medicinski fakultet, Niš
T2  - Acta medica Medianae
T1  - Correlation between angiotensin-converting enzyme inhibitors lipophilicity and protein binding data
T1  - Zavisnost lipofilnosti i vezivanja za proteine plazme inhibitora angiotenzin konvertujućeg enzima
VL  - 51
IS  - 4
SP  - 13
EP  - 18
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1826
ER  - 
@article{
author = "Odović, Jadranka and Trbojević-Stanković, Jasna",
year = "2012",
abstract = "Angiotensin-converting enzyme (ACE) inhibitors represent a significant group of drugs primarily used in the treatment of hypertension and congestive heart failure. In this research, seven ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril, benazepril) were studied to evaluate the relationship between their protein binding and calculated (logP values) or ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS) and reversed-phase thin-layer chromatography (RP-TLC) lipophilicity data (φ0, CHI or C0 parameters, respectively). Their protein binding data varied from negligible (lisinopril) to 99% (fosinopril), while calculated logPKOWWIN values ranged from -0.94 (lisinopril) to 6.61 (fosinopril). The good correlations were established between protein binding values and logPKOWWIN data (R2=0.7520) as well as between protein binding and chromatographic hydrophobicity data, φ0, CHI or C0 parameters (R2 were 0.6160, 0.6242 and 0.6547, respectively). The possible application of hydrophobicity data in drugs protein binding evaluation can be of great importance in drug bioavailability., Inhibitori angiotenzin konvertujućeg enzima (ACE inhibitori) predstavljaju veliku grupu lekova koji nalaze primenu u lečenju hipertenzije. U ovom radu analizirano je sedam ACE inhibitora (enalapril, kvinapril, fosinopril, lizinopril, cilazapril, ramipril i benazepril) kako bi se ispitala zavisnost između njihovog vezivanja za proteine plazme i lipofilnosti. Korelisane su vrednosti izračunatih (logPKOWWIN) ili hromatografski (UHPLC-MS i RP-TLC) dobijenih (φ0, CHI ili C0) hidrofobnih parametara. Procenat vezivanja za proteine plazme ispitivanih ACE inhibitora kretao se u opsegu od 0% do 99%, dok su vrednosti izračunatih logPKOWWIN vrednosti iznosile od -0.94 do 6.61. Dobijene su zadovoljavajuće korelacije između vrednosti vezivanja ACE inhibitora za proteine plazme i izračunatih logPKOWWIN vrednosti (R2=0,7520) kao i hromatografski dobijenih parametara hidrofobnosti, φ0, CHI, C0 (R2: 0,6160; 0,6242; 0,6547). PR Projekat Ministarstva nauke Republike Srbije, br. TR 34031.",
publisher = "Univerzitet u Nišu - Medicinski fakultet, Niš",
journal = "Acta medica Medianae",
title = "Correlation between angiotensin-converting enzyme inhibitors lipophilicity and protein binding data, Zavisnost lipofilnosti i vezivanja za proteine plazme inhibitora angiotenzin konvertujućeg enzima",
volume = "51",
number = "4",
pages = "13-18",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1826"
}
Odović, J.,& Trbojević-Stanković, J.. (2012). Correlation between angiotensin-converting enzyme inhibitors lipophilicity and protein binding data. in Acta medica Medianae
Univerzitet u Nišu - Medicinski fakultet, Niš., 51(4), 13-18.
https://hdl.handle.net/21.15107/rcub_farfar_1826
Odović J, Trbojević-Stanković J. Correlation between angiotensin-converting enzyme inhibitors lipophilicity and protein binding data. in Acta medica Medianae. 2012;51(4):13-18.
https://hdl.handle.net/21.15107/rcub_farfar_1826 .
Odović, Jadranka, Trbojević-Stanković, Jasna, "Correlation between angiotensin-converting enzyme inhibitors lipophilicity and protein binding data" in Acta medica Medianae, 51, no. 4 (2012):13-18,
https://hdl.handle.net/21.15107/rcub_farfar_1826 .

A PAMPA Assay as Fast Predictive Model of Passive Human Skin Permeability of New Synthesized Corticosteroid C-21 Esters

Marković, Bojan; Vladimirov, Sote; Čudina, Olivera; Odović, Jadranka; Karljiković-Rajić, Katarina

(MDPI, Basel, 2012)

TY  - JOUR
AU  - Marković, Bojan
AU  - Vladimirov, Sote
AU  - Čudina, Olivera
AU  - Odović, Jadranka
AU  - Karljiković-Rajić, Katarina
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1722
AB  - The permeation properties of twenty newly synthesized alpha-alkoxyalkanoyl and alpha-aryloxyalkanoyl C-21 esters of standard corticosteroids: Fluocinolone acetonide, dexamethasone, triamcinolone acetonide and hydrocortisone were established using a PAMPA assay (70% silicone oil and 30% isopropyl myristate). The data were compared with parent corticosteroids with addition of mometasone furoate and hydrocortisone acetate. All newly synthesized corticosteroid C-21 esters have effective permeability coefficients higher then -6, mostly followed with high values of retention factors and low permeation. The examined compounds were grouped through relationship between obtained retention factors and permeation parameters (groups I-III). The classification confirmed group I (membrane retentions as well as permeation lower then 30%) for all corticosteroid standards except mometasone furoate, a potent topical corticosteroid which, with high membrane retention (81%) and low permeation (7.7%) fits into group III. The largest number of new synthesized corticosteroids C-21 esters, among them all fluocinolone acetonide C-21 esters, have high membrane retentions (32.4%-86.5%) and low permeations (1.3%-27.1%), fitting in group III. The classification was related to previously obtained anti-inflammatory activity data for the fluocinolone acetonide C-21 esters series. According to the PAMPA results the new synthesized esters could be considered as potential new prodrugs with useful benefit/risk ratio.
PB  - MDPI, Basel
T2  - Molecules
T1  - A PAMPA Assay as Fast Predictive Model of Passive Human Skin Permeability of New Synthesized Corticosteroid C-21 Esters
VL  - 17
IS  - 1
SP  - 480
EP  - 491
DO  - 10.3390/molecules17010480
ER  - 
@article{
author = "Marković, Bojan and Vladimirov, Sote and Čudina, Olivera and Odović, Jadranka and Karljiković-Rajić, Katarina",
year = "2012",
abstract = "The permeation properties of twenty newly synthesized alpha-alkoxyalkanoyl and alpha-aryloxyalkanoyl C-21 esters of standard corticosteroids: Fluocinolone acetonide, dexamethasone, triamcinolone acetonide and hydrocortisone were established using a PAMPA assay (70% silicone oil and 30% isopropyl myristate). The data were compared with parent corticosteroids with addition of mometasone furoate and hydrocortisone acetate. All newly synthesized corticosteroid C-21 esters have effective permeability coefficients higher then -6, mostly followed with high values of retention factors and low permeation. The examined compounds were grouped through relationship between obtained retention factors and permeation parameters (groups I-III). The classification confirmed group I (membrane retentions as well as permeation lower then 30%) for all corticosteroid standards except mometasone furoate, a potent topical corticosteroid which, with high membrane retention (81%) and low permeation (7.7%) fits into group III. The largest number of new synthesized corticosteroids C-21 esters, among them all fluocinolone acetonide C-21 esters, have high membrane retentions (32.4%-86.5%) and low permeations (1.3%-27.1%), fitting in group III. The classification was related to previously obtained anti-inflammatory activity data for the fluocinolone acetonide C-21 esters series. According to the PAMPA results the new synthesized esters could be considered as potential new prodrugs with useful benefit/risk ratio.",
publisher = "MDPI, Basel",
journal = "Molecules",
title = "A PAMPA Assay as Fast Predictive Model of Passive Human Skin Permeability of New Synthesized Corticosteroid C-21 Esters",
volume = "17",
number = "1",
pages = "480-491",
doi = "10.3390/molecules17010480"
}
Marković, B., Vladimirov, S., Čudina, O., Odović, J.,& Karljiković-Rajić, K.. (2012). A PAMPA Assay as Fast Predictive Model of Passive Human Skin Permeability of New Synthesized Corticosteroid C-21 Esters. in Molecules
MDPI, Basel., 17(1), 480-491.
https://doi.org/10.3390/molecules17010480
Marković B, Vladimirov S, Čudina O, Odović J, Karljiković-Rajić K. A PAMPA Assay as Fast Predictive Model of Passive Human Skin Permeability of New Synthesized Corticosteroid C-21 Esters. in Molecules. 2012;17(1):480-491.
doi:10.3390/molecules17010480 .
Marković, Bojan, Vladimirov, Sote, Čudina, Olivera, Odović, Jadranka, Karljiković-Rajić, Katarina, "A PAMPA Assay as Fast Predictive Model of Passive Human Skin Permeability of New Synthesized Corticosteroid C-21 Esters" in Molecules, 17, no. 1 (2012):480-491,
https://doi.org/10.3390/molecules17010480 . .
25
16
24

Correlation between ultra-high performance liquid chromatography-tandem mass spectrometry and reversed-phase thin-layer chromatography hydrophobicity data for evaluation of angiotensin-converting enzyme inhibitors absorption

Odović, Jadranka; Marković, Bojan; Injac, Rade; Vladimirov, Sote; Karljiković-Rajić, Katarina

(Elsevier Science BV, Amsterdam, 2012)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Marković, Bojan
AU  - Injac, Rade
AU  - Vladimirov, Sote
AU  - Karljiković-Rajić, Katarina
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1651
AB  - In this research seven ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril, benazepril) were studied to evaluate the correlation between their absorption and ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS) and reversed-phase thin-layer chromatography (RP-TLC) hydrophobicity data (phi(0) or C-0 parameters, respectively). Their absorption values were in the range of 25-60%, while calculated KOWWIN logP values were from -0.94 to 6.61. Additionally. perindopril (absorption 70%, KOWWIN logP 2.59) and moexipril (absorption 22%, KOWWIN logP 3.36) were introduced for the theoretical considerations due to their high/low absorption values which were on the opposite sites in comparison with the majority of ACE inhibitors (25-60%). In the theoretical considerations it was shown that the solubility data (logS) must be considered, as independent variable, simultaneously with KOWWIN logP to obtain reliable correlation (r(2) = 0.7208) between absorption and ACE inhibitors lipophilicity. As the main topic of this study, the relationships between literature available and absorption data predicted by multiple linear regression (MLR) using logS values besides chromatographically obtained hydrophobicity parameters C-0 (r(2) = 0.6424) or phi(0) (r(2) = 0.6762) were studied proving that these parameters could be used in ACE inhibitors absorption evaluation. The UHPLC-MS method provides the direct application of experimentally obtained phi(0) values that is the advantage of this method. For better MLR correlation of ACE inhibitors absorption with C-0 parameters (RP-TLC) and logS, mathematical conversion of C-0 parameters to logC(0) values was necessary based on requisite for probability value of regression analysis (P  lt  0.05). The accordance and differences between hydrophobicity parameters obtained by UHPLC-MS and RP-TLC were defined.
PB  - Elsevier Science BV, Amsterdam
T2  - Journal of Chromatography A
T1  - Correlation between ultra-high performance liquid chromatography-tandem mass spectrometry and reversed-phase thin-layer chromatography hydrophobicity data for evaluation of angiotensin-converting enzyme inhibitors absorption
VL  - 1258
SP  - 94
EP  - 100
DO  - 10.1016/j.chroma.2012.08.038
ER  - 
@article{
author = "Odović, Jadranka and Marković, Bojan and Injac, Rade and Vladimirov, Sote and Karljiković-Rajić, Katarina",
year = "2012",
abstract = "In this research seven ACE inhibitors (enalapril, quinapril, fosinopril, lisinopril, cilazapril, ramipril, benazepril) were studied to evaluate the correlation between their absorption and ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS) and reversed-phase thin-layer chromatography (RP-TLC) hydrophobicity data (phi(0) or C-0 parameters, respectively). Their absorption values were in the range of 25-60%, while calculated KOWWIN logP values were from -0.94 to 6.61. Additionally. perindopril (absorption 70%, KOWWIN logP 2.59) and moexipril (absorption 22%, KOWWIN logP 3.36) were introduced for the theoretical considerations due to their high/low absorption values which were on the opposite sites in comparison with the majority of ACE inhibitors (25-60%). In the theoretical considerations it was shown that the solubility data (logS) must be considered, as independent variable, simultaneously with KOWWIN logP to obtain reliable correlation (r(2) = 0.7208) between absorption and ACE inhibitors lipophilicity. As the main topic of this study, the relationships between literature available and absorption data predicted by multiple linear regression (MLR) using logS values besides chromatographically obtained hydrophobicity parameters C-0 (r(2) = 0.6424) or phi(0) (r(2) = 0.6762) were studied proving that these parameters could be used in ACE inhibitors absorption evaluation. The UHPLC-MS method provides the direct application of experimentally obtained phi(0) values that is the advantage of this method. For better MLR correlation of ACE inhibitors absorption with C-0 parameters (RP-TLC) and logS, mathematical conversion of C-0 parameters to logC(0) values was necessary based on requisite for probability value of regression analysis (P  lt  0.05). The accordance and differences between hydrophobicity parameters obtained by UHPLC-MS and RP-TLC were defined.",
publisher = "Elsevier Science BV, Amsterdam",
journal = "Journal of Chromatography A",
title = "Correlation between ultra-high performance liquid chromatography-tandem mass spectrometry and reversed-phase thin-layer chromatography hydrophobicity data for evaluation of angiotensin-converting enzyme inhibitors absorption",
volume = "1258",
pages = "94-100",
doi = "10.1016/j.chroma.2012.08.038"
}
Odović, J., Marković, B., Injac, R., Vladimirov, S.,& Karljiković-Rajić, K.. (2012). Correlation between ultra-high performance liquid chromatography-tandem mass spectrometry and reversed-phase thin-layer chromatography hydrophobicity data for evaluation of angiotensin-converting enzyme inhibitors absorption. in Journal of Chromatography A
Elsevier Science BV, Amsterdam., 1258, 94-100.
https://doi.org/10.1016/j.chroma.2012.08.038
Odović J, Marković B, Injac R, Vladimirov S, Karljiković-Rajić K. Correlation between ultra-high performance liquid chromatography-tandem mass spectrometry and reversed-phase thin-layer chromatography hydrophobicity data for evaluation of angiotensin-converting enzyme inhibitors absorption. in Journal of Chromatography A. 2012;1258:94-100.
doi:10.1016/j.chroma.2012.08.038 .
Odović, Jadranka, Marković, Bojan, Injac, Rade, Vladimirov, Sote, Karljiković-Rajić, Katarina, "Correlation between ultra-high performance liquid chromatography-tandem mass spectrometry and reversed-phase thin-layer chromatography hydrophobicity data for evaluation of angiotensin-converting enzyme inhibitors absorption" in Journal of Chromatography A, 1258 (2012):94-100,
https://doi.org/10.1016/j.chroma.2012.08.038 . .
7
10
13

The Lipophilicity Examination of Some ACE inhibitors and Hydrochlorothiazide on Cellulose in RP Thin-Layer Chromatography

Odović, Jadranka; Karljiković-Rajić, Katarina; Trbojević-Stanković, Jasna; Stojimirović, Biljana; Vladimirov, Sote

(Shaheed Beheshti Univ, Sch Pharmacy, Tehran, 2012)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Karljiković-Rajić, Katarina
AU  - Trbojević-Stanković, Jasna
AU  - Stojimirović, Biljana
AU  - Vladimirov, Sote
PY  - 2012
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1642
AB  - In this assay, the evaluation of lipophilicity of four ACE-inhibitors and hydrochlorothiazide (HCTZ) with RP-TLC on cellulose layers was described using three binary solvent systems. The selected ACE inhibitors had sufficiently different structures which can indicate the method suitability for their lipophilicity evaluation as the model substances in comparison with HCTZ. In addition, the linear relationship between the R-M-values and composition of mobile phases was established in the current study. From the regression data of the plots, the hydrophobicity parameters, R-M(0) and m, were determined and C-0 parameter was calculated. The correlations between the experimentally obtained hydrophobicity parameters and calculated log p values were studied. Furthermore, the obtained results were compared with those previously obtained on RP-18 modified silica gel. Very good correlation (r = 0.91; water-ethanol solvent system) between the chromatographically obtained hydrophobicity parameters and calculated log p values confirmed the selection of ACE inhibitors since lisinopril and quinapril were on the opposite sites of linear relationship. The results indicate that cellulose as an easily available sorbent can be successfully used for the lipophilicity investigation of examined substances with RP-TLC.
PB  - Shaheed Beheshti Univ, Sch Pharmacy, Tehran
T2  - Iranian Journal of Pharmaceutical Research
T1  - The Lipophilicity Examination of Some ACE inhibitors and Hydrochlorothiazide on Cellulose in RP Thin-Layer Chromatography
VL  - 11
IS  - 3
SP  - 763
EP  - 770
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1642
ER  - 
@article{
author = "Odović, Jadranka and Karljiković-Rajić, Katarina and Trbojević-Stanković, Jasna and Stojimirović, Biljana and Vladimirov, Sote",
year = "2012",
abstract = "In this assay, the evaluation of lipophilicity of four ACE-inhibitors and hydrochlorothiazide (HCTZ) with RP-TLC on cellulose layers was described using three binary solvent systems. The selected ACE inhibitors had sufficiently different structures which can indicate the method suitability for their lipophilicity evaluation as the model substances in comparison with HCTZ. In addition, the linear relationship between the R-M-values and composition of mobile phases was established in the current study. From the regression data of the plots, the hydrophobicity parameters, R-M(0) and m, were determined and C-0 parameter was calculated. The correlations between the experimentally obtained hydrophobicity parameters and calculated log p values were studied. Furthermore, the obtained results were compared with those previously obtained on RP-18 modified silica gel. Very good correlation (r = 0.91; water-ethanol solvent system) between the chromatographically obtained hydrophobicity parameters and calculated log p values confirmed the selection of ACE inhibitors since lisinopril and quinapril were on the opposite sites of linear relationship. The results indicate that cellulose as an easily available sorbent can be successfully used for the lipophilicity investigation of examined substances with RP-TLC.",
publisher = "Shaheed Beheshti Univ, Sch Pharmacy, Tehran",
journal = "Iranian Journal of Pharmaceutical Research",
title = "The Lipophilicity Examination of Some ACE inhibitors and Hydrochlorothiazide on Cellulose in RP Thin-Layer Chromatography",
volume = "11",
number = "3",
pages = "763-770",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1642"
}
Odović, J., Karljiković-Rajić, K., Trbojević-Stanković, J., Stojimirović, B.,& Vladimirov, S.. (2012). The Lipophilicity Examination of Some ACE inhibitors and Hydrochlorothiazide on Cellulose in RP Thin-Layer Chromatography. in Iranian Journal of Pharmaceutical Research
Shaheed Beheshti Univ, Sch Pharmacy, Tehran., 11(3), 763-770.
https://hdl.handle.net/21.15107/rcub_farfar_1642
Odović J, Karljiković-Rajić K, Trbojević-Stanković J, Stojimirović B, Vladimirov S. The Lipophilicity Examination of Some ACE inhibitors and Hydrochlorothiazide on Cellulose in RP Thin-Layer Chromatography. in Iranian Journal of Pharmaceutical Research. 2012;11(3):763-770.
https://hdl.handle.net/21.15107/rcub_farfar_1642 .
Odović, Jadranka, Karljiković-Rajić, Katarina, Trbojević-Stanković, Jasna, Stojimirović, Biljana, Vladimirov, Sote, "The Lipophilicity Examination of Some ACE inhibitors and Hydrochlorothiazide on Cellulose in RP Thin-Layer Chromatography" in Iranian Journal of Pharmaceutical Research, 11, no. 3 (2012):763-770,
https://hdl.handle.net/21.15107/rcub_farfar_1642 .
8
10

Elimination of angiotensin: Converting enzime inhibitors by peritoneal dialisate

Odović, Jadranka; Trbojević-Stanković, Jasna

(Univerzitet u Nišu - Medicinski fakultet, Niš, 2011)

TY  - JOUR
AU  - Odović, Jadranka
AU  - Trbojević-Stanković, Jasna
PY  - 2011
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/1601
AB  - Angiotensin-converting enzyme (ACE) inhibitors are a significant group of drugs that are primarily used in the treatment of hypertension and congestive heart failure. Even though they belong to the same group of drugs and have similar efficacy, ACE inhibitors exhibit different pharmacological characteristics. The lipophilicity is one of the most important properties of biologically active substances. It influences their absorption, distribution, tissue penetration, action, elimination. In this paper, the elimination of ACE inhibitors by peritoneal dialisate in patients on peritoneal dialysis was investigated. The influence of ACE inhibitors' hydrophibicity in this way of elimination was discussed.
AB  - Inhibitori angiotenzin-konvertujućeg enzima (ACE inhibitori) najčešće su propisivani antihipertenzivni lekovi. Iako pripadaju istoj grupi lekova i pokazuju sličnu kliničku efikasnost, pojedini ACE inhibitori imaju različite farmakološke osobine, što može biti posledica njihovih različitih hemijskih karakteristika. Jedna od najznačajnijih osobina biološki aktivnih supstanci je njihova lipofilnost. Ona utiče na njihovu apsorpciju, raspodelu u tkiva, aktivnost, eliminaciju. U ovom radu proučavana je eliminacija ACE inhibitora fosinoprila i cilazaprila dijalizatom kod bolesnika na peritoneumskoj dijalizi i uticaj lipofilnosti na ovaj put njihove eliminacije. .
PB  - Univerzitet u Nišu - Medicinski fakultet, Niš
T2  - Acta medica Medianae
T1  - Elimination of angiotensin: Converting enzime inhibitors by peritoneal dialisate
T1  - Eliminacija inhibitora angiotenzin konvertujućeg enzima putem peritoneumskog dijalizata
VL  - 50
IS  - 2
SP  - 12
EP  - 17
UR  - https://hdl.handle.net/21.15107/rcub_farfar_1601
ER  - 
@article{
author = "Odović, Jadranka and Trbojević-Stanković, Jasna",
year = "2011",
abstract = "Angiotensin-converting enzyme (ACE) inhibitors are a significant group of drugs that are primarily used in the treatment of hypertension and congestive heart failure. Even though they belong to the same group of drugs and have similar efficacy, ACE inhibitors exhibit different pharmacological characteristics. The lipophilicity is one of the most important properties of biologically active substances. It influences their absorption, distribution, tissue penetration, action, elimination. In this paper, the elimination of ACE inhibitors by peritoneal dialisate in patients on peritoneal dialysis was investigated. The influence of ACE inhibitors' hydrophibicity in this way of elimination was discussed., Inhibitori angiotenzin-konvertujućeg enzima (ACE inhibitori) najčešće su propisivani antihipertenzivni lekovi. Iako pripadaju istoj grupi lekova i pokazuju sličnu kliničku efikasnost, pojedini ACE inhibitori imaju različite farmakološke osobine, što može biti posledica njihovih različitih hemijskih karakteristika. Jedna od najznačajnijih osobina biološki aktivnih supstanci je njihova lipofilnost. Ona utiče na njihovu apsorpciju, raspodelu u tkiva, aktivnost, eliminaciju. U ovom radu proučavana je eliminacija ACE inhibitora fosinoprila i cilazaprila dijalizatom kod bolesnika na peritoneumskoj dijalizi i uticaj lipofilnosti na ovaj put njihove eliminacije. .",
publisher = "Univerzitet u Nišu - Medicinski fakultet, Niš",
journal = "Acta medica Medianae",
title = "Elimination of angiotensin: Converting enzime inhibitors by peritoneal dialisate, Eliminacija inhibitora angiotenzin konvertujućeg enzima putem peritoneumskog dijalizata",
volume = "50",
number = "2",
pages = "12-17",
url = "https://hdl.handle.net/21.15107/rcub_farfar_1601"
}
Odović, J.,& Trbojević-Stanković, J.. (2011). Elimination of angiotensin: Converting enzime inhibitors by peritoneal dialisate. in Acta medica Medianae
Univerzitet u Nišu - Medicinski fakultet, Niš., 50(2), 12-17.
https://hdl.handle.net/21.15107/rcub_farfar_1601
Odović J, Trbojević-Stanković J. Elimination of angiotensin: Converting enzime inhibitors by peritoneal dialisate. in Acta medica Medianae. 2011;50(2):12-17.
https://hdl.handle.net/21.15107/rcub_farfar_1601 .
Odović, Jadranka, Trbojević-Stanković, Jasna, "Elimination of angiotensin: Converting enzime inhibitors by peritoneal dialisate" in Acta medica Medianae, 50, no. 2 (2011):12-17,
https://hdl.handle.net/21.15107/rcub_farfar_1601 .