TY  - JOUR
AU  - Obradović, Darija
AU  - Savić, Jelena
AU  - Joksimović, Jovana
AU  - Marković, Bojan
AU  - Vujić, Zorica
AU  - Lazović, Saša
PY  - 2024
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5549
AB  - Abstract: The retention profile of six serotonin receptor ligands such as arylpiperazines (aripiprazole, ziprasidone, risperidone), and benzothiazepine derivatives (olanzapine, mianserin, quetiapine), was investigated on C8 alkyl and pentafluorophenylpropyl stationary phases. The experimental design methodology was used to define their retention behavior and achieve acceptable separation results. Both phases showed satisfactory selectivity for all compounds. The optimal separation among the structurally related arylpiperazines and benzothiazepines was found with the C8 phase at 25°C, using acetonitrile (40%, v/v) and 20 mM ammonium acetate as a mobile phase modifier. The selectivity and sensitivity performances of the selected C8 system were discussed considering the separation of aripiprazole and its related compounds. In addition, the specified conditions were validated for determining aripiprazole in pharmaceutical dosage forms. The developed reversed-phase high-performance liquid chromatography method can be successfully used for the rapid chromatographic profiling of serotonin receptor ligands and related analogs, providing increased selectivity during pharmaceutical analysis.
PB  - Pleiades Publishing
T2  - Journal of Analytical Chemistry
T1  - Rapid Reversed-Phase High-Performance Liquid Chromatography Profiling of Serotonin Receptor Ligands and their Related Compounds
VL  - 79
IS  - 1
SP  - 95
EP  - 104
DO  - 10.1134/S1061934824010076
ER  - 

@article{
author = "Obradović, Darija and Savić, Jelena and Joksimović, Jovana and Marković, Bojan and Vujić, Zorica and Lazović, Saša",
year = "2024",
abstract = "Abstract: The retention profile of six serotonin receptor ligands such as arylpiperazines (aripiprazole, ziprasidone, risperidone), and benzothiazepine derivatives (olanzapine, mianserin, quetiapine), was investigated on C8 alkyl and pentafluorophenylpropyl stationary phases. The experimental design methodology was used to define their retention behavior and achieve acceptable separation results. Both phases showed satisfactory selectivity for all compounds. The optimal separation among the structurally related arylpiperazines and benzothiazepines was found with the C8 phase at 25°C, using acetonitrile (40%, v/v) and 20 mM ammonium acetate as a mobile phase modifier. The selectivity and sensitivity performances of the selected C8 system were discussed considering the separation of aripiprazole and its related compounds. In addition, the specified conditions were validated for determining aripiprazole in pharmaceutical dosage forms. The developed reversed-phase high-performance liquid chromatography method can be successfully used for the rapid chromatographic profiling of serotonin receptor ligands and related analogs, providing increased selectivity during pharmaceutical analysis.",
publisher = "Pleiades Publishing",
journal = "Journal of Analytical Chemistry",
title = "Rapid Reversed-Phase High-Performance Liquid Chromatography Profiling of Serotonin Receptor Ligands and their Related Compounds",
volume = "79",
number = "1",
pages = "95-104",
doi = "10.1134/S1061934824010076"
}

Obradović, D., Savić, J., Joksimović, J., Marković, B., Vujić, Z.,& Lazović, S.. (2024). Rapid Reversed-Phase High-Performance Liquid Chromatography Profiling of Serotonin Receptor Ligands and their Related Compounds. in Journal of Analytical Chemistry
Pleiades Publishing., 79(1), 95-104.
https://doi.org/10.1134/S1061934824010076

Obradović D, Savić J, Joksimović J, Marković B, Vujić Z, Lazović S. Rapid Reversed-Phase High-Performance Liquid Chromatography Profiling of Serotonin Receptor Ligands and their Related Compounds. in Journal of Analytical Chemistry. 2024;79(1):95-104.
doi:10.1134/S1061934824010076 .

Obradović, Darija, Savić, Jelena, Joksimović, Jovana, Marković, Bojan, Vujić, Zorica, Lazović, Saša, "Rapid Reversed-Phase High-Performance Liquid Chromatography Profiling of Serotonin Receptor Ligands and their Related Compounds" in Journal of Analytical Chemistry, 79, no. 1 (2024):95-104,
https://doi.org/10.1134/S1061934824010076 . .

TY  - JOUR
AU  - Nedeljković, Nikola
AU  - Nikolić, Miloš
AU  - Čanović, Petar
AU  - Zarić, Milan
AU  - Živković-Zarić, Radica
AU  - Bošković, Jelena
AU  - Vesović, Marina
AU  - Bradić, Jovana
AU  - Anđić, Marijana
AU  - Kočović, Aleksandar
AU  - Nikolić, Marina
AU  - Jakovljević, Vladimir
AU  - Vujić, Zorica
AU  - Dobričić, Vladimir
PY  - 2024
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5449
AB  - The objective of this study was to synthesize seven novel thiourea derivatives of naproxen (8–14), examine the anti-inflammatory activity of the newly synthesized compounds, investigate the cytotoxic potential of both sets of synthesized compounds (1–7 and 8–14), and select the most promising anti-inflammatory and antitumor drug candidates. The results of the in vivo anti-inflammatory study clearly showed that compounds 8 and 9 were capable of decreasing paw edema, as evident from a high percentage of inhibition (44.83% and 49.29%, respectively). In addition, the results of in vitro enzyme inhibition assays demonstrated that neither of the newly synthesized compounds reached 50% inhibition of 5-LOX at concentrations lower than 100 μM. In terms of antitumor potential, derivatives 3 and 8 exhibited strong cytotoxic effects on the HeLa cell line, suggesting the involvement of the extrinsic pathway of apoptosis. According to the overall results obtained for both sets of synthesized molecules, derivatives 4 and 8 can be underlined as molecules with the strongest anti-inflammatory activity, while derivatives 3 and 8 are the most promising cytotoxic agents.
PB  - MDPI
T2  - Pharmaceutics
T1  - Synthesis, Characterization, and Investigation of Anti-Inflammatory and Cytotoxic Activities of Novel Thiourea Derivatives of Naproxen
VL  - 16
IS  - 1
SP  - 1
DO  - 10.3390/pharmaceutics16010001
ER  - 

@article{
author = "Nedeljković, Nikola and Nikolić, Miloš and Čanović, Petar and Zarić, Milan and Živković-Zarić, Radica and Bošković, Jelena and Vesović, Marina and Bradić, Jovana and Anđić, Marijana and Kočović, Aleksandar and Nikolić, Marina and Jakovljević, Vladimir and Vujić, Zorica and Dobričić, Vladimir",
year = "2024",
abstract = "The objective of this study was to synthesize seven novel thiourea derivatives of naproxen (8–14), examine the anti-inflammatory activity of the newly synthesized compounds, investigate the cytotoxic potential of both sets of synthesized compounds (1–7 and 8–14), and select the most promising anti-inflammatory and antitumor drug candidates. The results of the in vivo anti-inflammatory study clearly showed that compounds 8 and 9 were capable of decreasing paw edema, as evident from a high percentage of inhibition (44.83% and 49.29%, respectively). In addition, the results of in vitro enzyme inhibition assays demonstrated that neither of the newly synthesized compounds reached 50% inhibition of 5-LOX at concentrations lower than 100 μM. In terms of antitumor potential, derivatives 3 and 8 exhibited strong cytotoxic effects on the HeLa cell line, suggesting the involvement of the extrinsic pathway of apoptosis. According to the overall results obtained for both sets of synthesized molecules, derivatives 4 and 8 can be underlined as molecules with the strongest anti-inflammatory activity, while derivatives 3 and 8 are the most promising cytotoxic agents.",
publisher = "MDPI",
journal = "Pharmaceutics",
title = "Synthesis, Characterization, and Investigation of Anti-Inflammatory and Cytotoxic Activities of Novel Thiourea Derivatives of Naproxen",
volume = "16",
number = "1",
pages = "1",
doi = "10.3390/pharmaceutics16010001"
}

Nedeljković, N., Nikolić, M., Čanović, P., Zarić, M., Živković-Zarić, R., Bošković, J., Vesović, M., Bradić, J., Anđić, M., Kočović, A., Nikolić, M., Jakovljević, V., Vujić, Z.,& Dobričić, V.. (2024). Synthesis, Characterization, and Investigation of Anti-Inflammatory and Cytotoxic Activities of Novel Thiourea Derivatives of Naproxen. in Pharmaceutics
MDPI., 16(1), 1.
https://doi.org/10.3390/pharmaceutics16010001

Nedeljković N, Nikolić M, Čanović P, Zarić M, Živković-Zarić R, Bošković J, Vesović M, Bradić J, Anđić M, Kočović A, Nikolić M, Jakovljević V, Vujić Z, Dobričić V. Synthesis, Characterization, and Investigation of Anti-Inflammatory and Cytotoxic Activities of Novel Thiourea Derivatives of Naproxen. in Pharmaceutics. 2024;16(1):1.
doi:10.3390/pharmaceutics16010001 .

Nedeljković, Nikola, Nikolić, Miloš, Čanović, Petar, Zarić, Milan, Živković-Zarić, Radica, Bošković, Jelena, Vesović, Marina, Bradić, Jovana, Anđić, Marijana, Kočović, Aleksandar, Nikolić, Marina, Jakovljević, Vladimir, Vujić, Zorica, Dobričić, Vladimir, "Synthesis, Characterization, and Investigation of Anti-Inflammatory and Cytotoxic Activities of Novel Thiourea Derivatives of Naproxen" in Pharmaceutics, 16, no. 1 (2024):1,
https://doi.org/10.3390/pharmaceutics16010001 . .

TY  - JOUR
AU  - Nedeljković, Nikola
AU  - Dobričić, Vladimir
AU  - Bošković, Jelena
AU  - Vesović, Marina
AU  - Bradić, Jovana
AU  - Anđić, Marijana
AU  - Kočović, Aleksandar
AU  - Jeremić, Nevena
AU  - Novaković, Jovana
AU  - Jakovljević, Vladimir
AU  - Vujić, Zorica
AU  - Nikolić, Miloš
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4756
AB  - The aim of the study was a synthesis and investigation of the dose-dependent anti-inflammatory effect of new thiourea derivatives of naproxen with selected aromatic amines and esters of aromatic amino acids. The results of the in vivo study indicate that derivatives of m-anisidine (4) and N-methyl tryptophan methyl ester (7) showed the most potent anti-inflammatory activity four hours after injection of carrageenan, with the percentage of inhibition of 54.01% and 54.12%, respectively. In vitro assays of COX-2 inhibition demonstrated that none of the tested compounds achieved 50% inhibition at concentrations lower than 100 µM. On the other hand, the aromatic amine derivatives (1–5) accomplished significant inhibition of 5-LOX, and the lowest IC50 value was observed for compound 4 (0.30 μM). High anti-edematous activity of compound 4 in the rat paw edema model, together with potent inhibition of 5-LOX, highlight this compound as a promising anti-inflammatory agent
PB  - MDPI
T2  - Pharmaceuticals
T1  - Synthesis and Investigation of Anti-Inflammatory Activity of New Thiourea Derivatives of Naproxen
VL  - 16
IS  - 5
DO  - 10.3390/ph16050666
ER  - 

@article{
author = "Nedeljković, Nikola and Dobričić, Vladimir and Bošković, Jelena and Vesović, Marina and Bradić, Jovana and Anđić, Marijana and Kočović, Aleksandar and Jeremić, Nevena and Novaković, Jovana and Jakovljević, Vladimir and Vujić, Zorica and Nikolić, Miloš",
year = "2023",
abstract = "The aim of the study was a synthesis and investigation of the dose-dependent anti-inflammatory effect of new thiourea derivatives of naproxen with selected aromatic amines and esters of aromatic amino acids. The results of the in vivo study indicate that derivatives of m-anisidine (4) and N-methyl tryptophan methyl ester (7) showed the most potent anti-inflammatory activity four hours after injection of carrageenan, with the percentage of inhibition of 54.01% and 54.12%, respectively. In vitro assays of COX-2 inhibition demonstrated that none of the tested compounds achieved 50% inhibition at concentrations lower than 100 µM. On the other hand, the aromatic amine derivatives (1–5) accomplished significant inhibition of 5-LOX, and the lowest IC50 value was observed for compound 4 (0.30 μM). High anti-edematous activity of compound 4 in the rat paw edema model, together with potent inhibition of 5-LOX, highlight this compound as a promising anti-inflammatory agent",
publisher = "MDPI",
journal = "Pharmaceuticals",
title = "Synthesis and Investigation of Anti-Inflammatory Activity of New Thiourea Derivatives of Naproxen",
volume = "16",
number = "5",
doi = "10.3390/ph16050666"
}

Nedeljković, N., Dobričić, V., Bošković, J., Vesović, M., Bradić, J., Anđić, M., Kočović, A., Jeremić, N., Novaković, J., Jakovljević, V., Vujić, Z.,& Nikolić, M.. (2023). Synthesis and Investigation of Anti-Inflammatory Activity of New Thiourea Derivatives of Naproxen. in Pharmaceuticals
MDPI., 16(5).
https://doi.org/10.3390/ph16050666

Nedeljković N, Dobričić V, Bošković J, Vesović M, Bradić J, Anđić M, Kočović A, Jeremić N, Novaković J, Jakovljević V, Vujić Z, Nikolić M. Synthesis and Investigation of Anti-Inflammatory Activity of New Thiourea Derivatives of Naproxen. in Pharmaceuticals. 2023;16(5).
doi:10.3390/ph16050666 .

Nedeljković, Nikola, Dobričić, Vladimir, Bošković, Jelena, Vesović, Marina, Bradić, Jovana, Anđić, Marijana, Kočović, Aleksandar, Jeremić, Nevena, Novaković, Jovana, Jakovljević, Vladimir, Vujić, Zorica, Nikolić, Miloš, "Synthesis and Investigation of Anti-Inflammatory Activity of New Thiourea Derivatives of Naproxen" in Pharmaceuticals, 16, no. 5 (2023),
https://doi.org/10.3390/ph16050666 . .

TY  - CONF
AU  - Nedeljković, Nikola
AU  - Dobričić, Vladimir
AU  - Vesović, Marina
AU  - Živanović, Ana
AU  - Radić, Gordana
AU  - Vujić, Zorica
AU  - Nikolić, Miloš
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5475
AB  - Design of dual COX-2/5-LOX inhibitors can be considered an adequate approach in the development of new anti-inflammatory drugs with less pronounced side effects. The aim of the present research was to examine the binding potential of the seven newly designed thiourea derivatives of naproxen towards COX-2 and 5-LOX. The binding analysis of ligand conformations was performed by OEDocking 3.2.0.2 software. The binding potential assessment revealed that thiourea derivatives of naproxen exhibited a comparable binding affinity as naproxen towards COX-2. The highest number of key binding interactions with 5-LOX was formed by compound 5, whereas compound 6 established the most stable complex (-9.29 kcal/mol). According to the obtained results, derivatives 5 and 6 can be considered as dual COX-2/5-LOX inhibitors with potential anti-inflammatory activity. However, none of the investigated compounds were able to form three hydrogen bonds with the binding site of COX-2, as well as three key hydrogen bonds with the active site of 5-LOX.
PB  - Institute for Information Technologies, University of Kragujevac, Serbia
C3  - 2nd International Conference on Chemo and BioInformatics ICCBIKG 2023, September 28 - 29th, 2023, Kragujevac, Serbia, Book of Proceedings
T1  - In silico estimation of COX-2 and 5-LOX inhibitory potential of some novel thiourea derivatives of naproxen
SP  - 475
EP  - 478
DO  - 10.46793/ICCBI23.475N
ER  - 

@conference{
author = "Nedeljković, Nikola and Dobričić, Vladimir and Vesović, Marina and Živanović, Ana and Radić, Gordana and Vujić, Zorica and Nikolić, Miloš",
year = "2023",
abstract = "Design of dual COX-2/5-LOX inhibitors can be considered an adequate approach in the development of new anti-inflammatory drugs with less pronounced side effects. The aim of the present research was to examine the binding potential of the seven newly designed thiourea derivatives of naproxen towards COX-2 and 5-LOX. The binding analysis of ligand conformations was performed by OEDocking 3.2.0.2 software. The binding potential assessment revealed that thiourea derivatives of naproxen exhibited a comparable binding affinity as naproxen towards COX-2. The highest number of key binding interactions with 5-LOX was formed by compound 5, whereas compound 6 established the most stable complex (-9.29 kcal/mol). According to the obtained results, derivatives 5 and 6 can be considered as dual COX-2/5-LOX inhibitors with potential anti-inflammatory activity. However, none of the investigated compounds were able to form three hydrogen bonds with the binding site of COX-2, as well as three key hydrogen bonds with the active site of 5-LOX.",
publisher = "Institute for Information Technologies, University of Kragujevac, Serbia",
journal = "2nd International Conference on Chemo and BioInformatics ICCBIKG 2023, September 28 - 29th, 2023, Kragujevac, Serbia, Book of Proceedings",
title = "In silico estimation of COX-2 and 5-LOX inhibitory potential of some novel thiourea derivatives of naproxen",
pages = "475-478",
doi = "10.46793/ICCBI23.475N"
}

Nedeljković, N., Dobričić, V., Vesović, M., Živanović, A., Radić, G., Vujić, Z.,& Nikolić, M.. (2023). In silico estimation of COX-2 and 5-LOX inhibitory potential of some novel thiourea derivatives of naproxen. in 2nd International Conference on Chemo and BioInformatics ICCBIKG 2023, September 28 - 29th, 2023, Kragujevac, Serbia, Book of Proceedings
Institute for Information Technologies, University of Kragujevac, Serbia., 475-478.
https://doi.org/10.46793/ICCBI23.475N

Nedeljković N, Dobričić V, Vesović M, Živanović A, Radić G, Vujić Z, Nikolić M. In silico estimation of COX-2 and 5-LOX inhibitory potential of some novel thiourea derivatives of naproxen. in 2nd International Conference on Chemo and BioInformatics ICCBIKG 2023, September 28 - 29th, 2023, Kragujevac, Serbia, Book of Proceedings. 2023;:475-478.
doi:10.46793/ICCBI23.475N .

Nedeljković, Nikola, Dobričić, Vladimir, Vesović, Marina, Živanović, Ana, Radić, Gordana, Vujić, Zorica, Nikolić, Miloš, "In silico estimation of COX-2 and 5-LOX inhibitory potential of some novel thiourea derivatives of naproxen" in 2nd International Conference on Chemo and BioInformatics ICCBIKG 2023, September 28 - 29th, 2023, Kragujevac, Serbia, Book of Proceedings (2023):475-478,
https://doi.org/10.46793/ICCBI23.475N . .

TY  - CONF
AU  - Nedeljković, Nikola
AU  - Dobričić, Vladimir
AU  - Bošković, Jelena
AU  - Vesović, Marina
AU  - Bradić, Jovana
AU  - Anđić, Marijana
AU  - Kočović, Aleksandar
AU  - Jeremić, Nevena
AU  - Novaković, Jovana
AU  - Jakovljević, Vladimir
AU  - Vujić, Zorica
AU  - Nikolić, Miloš
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5476
AB  - The aim of the conducted study was to develop new potential dual COX-2 and 5-LOX
inhibitors based on naproxen scaffold. We performed the evaluation of in vivo and in vitro
anti-inflammatory activity of newly synthesized thiourea derivatives of naproxen containing
m-anisidine and N-methyl tryptophan methyl ester in a side chain. An in vivo study
was carried out using a carrageenan-induced paw edema model of acute inflammation.
COX-2 and 5-LOX inhibitory potential of synthesized compounds was evaluated using
fluorometric inhibitor screening kits. In silico study was performed in OEDocking 3.2.0.2
software with the FRED tool. Two investigated derivatives exhibited comparable anti-inflammatory
activity to naproxen (56.32%) four hours after injection of carrageenan, with
the percentage of inhibition being 54.01% (m-anisidine derivative) and 54.12% (N-methyl
tryptophan methyl ester derivative). In vitro studies of COX-2 inhibition demonstrated that
none of the tested compounds achieved 50% inhibition at concentrations below 100 μM,
whereas the m-anisidine derivative accomplished comparable inhibition of 5-LOX (IC50 =
0.30 μM) to commercial 5-LOX inhibitor zileuton (IC50 = 0.36 μM). Inability of the tested
compounds to form three hydrogen bonds with ARG120 and TYR355 could be a reason
why these compounds showed weak COX-2 inhibition. The m-anisidine derivative formed
a more stable complex with the 5-LOX enzyme (−8.39 kcal/mol), compared to N-methyl
tryptophan methyl ester derivative (−7.98 kcal/mol), with the absence of the iron ion chelation
in the active site in both cases. The significant in vivo anti-inflammatory activity of
the m-anisidine derivative, together with the potent inhibition of 5-LOX, highlighted this
compound as a promising anti-inflammatory agent.
PB  - Fakultet medicinskih nauka Univerziteta u Kragujevcu
C3  - 9th International Congress of Pathophysiology and 5th Congress of Physiological Sciences of Serbia with International Participation, July 4th - 6th, 2023. Belgrade, Serbia
T1  - Selected thiourea derivatives of naproxen as potential anti-inflammatory agents: in vivo, in vitro, and in silico approach
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5476
ER  - 

@conference{
author = "Nedeljković, Nikola and Dobričić, Vladimir and Bošković, Jelena and Vesović, Marina and Bradić, Jovana and Anđić, Marijana and Kočović, Aleksandar and Jeremić, Nevena and Novaković, Jovana and Jakovljević, Vladimir and Vujić, Zorica and Nikolić, Miloš",
year = "2023",
abstract = "The aim of the conducted study was to develop new potential dual COX-2 and 5-LOX
inhibitors based on naproxen scaffold. We performed the evaluation of in vivo and in vitro
anti-inflammatory activity of newly synthesized thiourea derivatives of naproxen containing
m-anisidine and N-methyl tryptophan methyl ester in a side chain. An in vivo study
was carried out using a carrageenan-induced paw edema model of acute inflammation.
COX-2 and 5-LOX inhibitory potential of synthesized compounds was evaluated using
fluorometric inhibitor screening kits. In silico study was performed in OEDocking 3.2.0.2
software with the FRED tool. Two investigated derivatives exhibited comparable anti-inflammatory
activity to naproxen (56.32%) four hours after injection of carrageenan, with
the percentage of inhibition being 54.01% (m-anisidine derivative) and 54.12% (N-methyl
tryptophan methyl ester derivative). In vitro studies of COX-2 inhibition demonstrated that
none of the tested compounds achieved 50% inhibition at concentrations below 100 μM,
whereas the m-anisidine derivative accomplished comparable inhibition of 5-LOX (IC50 =
0.30 μM) to commercial 5-LOX inhibitor zileuton (IC50 = 0.36 μM). Inability of the tested
compounds to form three hydrogen bonds with ARG120 and TYR355 could be a reason
why these compounds showed weak COX-2 inhibition. The m-anisidine derivative formed
a more stable complex with the 5-LOX enzyme (−8.39 kcal/mol), compared to N-methyl
tryptophan methyl ester derivative (−7.98 kcal/mol), with the absence of the iron ion chelation
in the active site in both cases. The significant in vivo anti-inflammatory activity of
the m-anisidine derivative, together with the potent inhibition of 5-LOX, highlighted this
compound as a promising anti-inflammatory agent.",
publisher = "Fakultet medicinskih nauka Univerziteta u Kragujevcu",
journal = "9th International Congress of Pathophysiology and 5th Congress of Physiological Sciences of Serbia with International Participation, July 4th - 6th, 2023. Belgrade, Serbia",
title = "Selected thiourea derivatives of naproxen as potential anti-inflammatory agents: in vivo, in vitro, and in silico approach",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5476"
}

Nedeljković, N., Dobričić, V., Bošković, J., Vesović, M., Bradić, J., Anđić, M., Kočović, A., Jeremić, N., Novaković, J., Jakovljević, V., Vujić, Z.,& Nikolić, M.. (2023). Selected thiourea derivatives of naproxen as potential anti-inflammatory agents: in vivo, in vitro, and in silico approach. in 9th International Congress of Pathophysiology and 5th Congress of Physiological Sciences of Serbia with International Participation, July 4th - 6th, 2023. Belgrade, Serbia
Fakultet medicinskih nauka Univerziteta u Kragujevcu..
https://hdl.handle.net/21.15107/rcub_farfar_5476

Nedeljković N, Dobričić V, Bošković J, Vesović M, Bradić J, Anđić M, Kočović A, Jeremić N, Novaković J, Jakovljević V, Vujić Z, Nikolić M. Selected thiourea derivatives of naproxen as potential anti-inflammatory agents: in vivo, in vitro, and in silico approach. in 9th International Congress of Pathophysiology and 5th Congress of Physiological Sciences of Serbia with International Participation, July 4th - 6th, 2023. Belgrade, Serbia. 2023;.
https://hdl.handle.net/21.15107/rcub_farfar_5476 .

Nedeljković, Nikola, Dobričić, Vladimir, Bošković, Jelena, Vesović, Marina, Bradić, Jovana, Anđić, Marijana, Kočović, Aleksandar, Jeremić, Nevena, Novaković, Jovana, Jakovljević, Vladimir, Vujić, Zorica, Nikolić, Miloš, "Selected thiourea derivatives of naproxen as potential anti-inflammatory agents: in vivo, in vitro, and in silico approach" in 9th International Congress of Pathophysiology and 5th Congress of Physiological Sciences of Serbia with International Participation, July 4th - 6th, 2023. Belgrade, Serbia (2023),
https://hdl.handle.net/21.15107/rcub_farfar_5476 .

TY  - CONF
AU  - Bošković, Jelena
AU  - Dobričić, Vladimir
AU  - Nedeljković, Nikola
AU  - Nikolić, Miloš
AU  - Vujić, Zorica
AU  - Čudina, Olivera
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5458
AB  - The pathogenesis and progression of a various diseases, such as cancer, rheumatoid arthritis, autoimmune, cardiovascular and neurodegenerative diseases, are closely related to chronic inflammatory processes. ...
PB  - European Federation for Medicinal chemistry and Chemical biology (EFMC)
C3  - EFMC-ASMC, IX EFMC Internatinal Symposium on Advances in Synthetic and Medicinal Chemistry, September 3 - 7. 2023, Zagreb, Croatia , Book of Abstracts
T1  - Synthesis and investigation of enzyme inhibition of potential dual COX-2 and 5-LOX inhibitors
SP  - 154
EP  - 154
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5458
ER  - 

@conference{
author = "Bošković, Jelena and Dobričić, Vladimir and Nedeljković, Nikola and Nikolić, Miloš and Vujić, Zorica and Čudina, Olivera",
year = "2023",
abstract = "The pathogenesis and progression of a various diseases, such as cancer, rheumatoid arthritis, autoimmune, cardiovascular and neurodegenerative diseases, are closely related to chronic inflammatory processes. ...",
publisher = "European Federation for Medicinal chemistry and Chemical biology (EFMC)",
journal = "EFMC-ASMC, IX EFMC Internatinal Symposium on Advances in Synthetic and Medicinal Chemistry, September 3 - 7. 2023, Zagreb, Croatia , Book of Abstracts",
title = "Synthesis and investigation of enzyme inhibition of potential dual COX-2 and 5-LOX inhibitors",
pages = "154-154",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5458"
}

Bošković, J., Dobričić, V., Nedeljković, N., Nikolić, M., Vujić, Z.,& Čudina, O.. (2023). Synthesis and investigation of enzyme inhibition of potential dual COX-2 and 5-LOX inhibitors. in EFMC-ASMC, IX EFMC Internatinal Symposium on Advances in Synthetic and Medicinal Chemistry, September 3 - 7. 2023, Zagreb, Croatia , Book of Abstracts
European Federation for Medicinal chemistry and Chemical biology (EFMC)., 154-154.
https://hdl.handle.net/21.15107/rcub_farfar_5458

Bošković J, Dobričić V, Nedeljković N, Nikolić M, Vujić Z, Čudina O. Synthesis and investigation of enzyme inhibition of potential dual COX-2 and 5-LOX inhibitors. in EFMC-ASMC, IX EFMC Internatinal Symposium on Advances in Synthetic and Medicinal Chemistry, September 3 - 7. 2023, Zagreb, Croatia , Book of Abstracts. 2023;:154-154.
https://hdl.handle.net/21.15107/rcub_farfar_5458 .

Bošković, Jelena, Dobričić, Vladimir, Nedeljković, Nikola, Nikolić, Miloš, Vujić, Zorica, Čudina, Olivera, "Synthesis and investigation of enzyme inhibition of potential dual COX-2 and 5-LOX inhibitors" in EFMC-ASMC, IX EFMC Internatinal Symposium on Advances in Synthetic and Medicinal Chemistry, September 3 - 7. 2023, Zagreb, Croatia , Book of Abstracts (2023):154-154,
https://hdl.handle.net/21.15107/rcub_farfar_5458 .

TY  - JOUR
AU  - Nedeljković, Nikola
AU  - Dobričić, Vladimir
AU  - Mijajlović, Marina
AU  - Vujić, Zorica
AU  - Nikolić, Miloš
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5347
AB  - Naproxen, as a propionic acid derivative, causes serious gastrointestinal side effects due to the presence of free carboxylic group. In that sense, masking of carboxylic group with other pharmacophores may be a promising strategy to decrease gastrointestinal toxicity. Thiourea derivatives have been intensively investigated as potential antitumor drugs, whereby their activity is based on potential inhibition of protein kinases, topoisomerases, carbonic anhydrase and sirtuins. In addition, it was shown that inhibition of certain protein kinases might reverse resistance to chemotherapeutic drugs by enhancing the cell death in the presence of low concentrations of drug. Twenty new thiourea derivatives of naproxen were designed and their binding to four selected protein kinases involved in tumor multidrug resistance (AKT2, mTOR, EGFR and VEGFR1) was estimated using two molecular docking programs (AutoDock Vina and OEDocking). According to OEDocking, the highest potential to inhibit AKT2 and mTor has derivative 1, while derivative 20 demonstrates the highest potential towards EGFR and VEGFR1. According to AutoDock Vina, the highest potential for inhibition of EGFR, AKT2 and VEGFR1 have derivatives 16 and 17. Therefore, derivatives 1, 16, 17 and 20 are potentially the most potent protein kinase inhibitors that could be further synthesized and tested for anticancer activity.
PB  - Sciendo
T2  - Experimental and Applied Biomedical Research (EABR)
T1  - Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Antitumor Activity
VL  - 24
IS  - 3
SP  - 235
EP  - 242
DO  - 10.2478/sjecr-2021-0037
ER  - 

@article{
author = "Nedeljković, Nikola and Dobričić, Vladimir and Mijajlović, Marina and Vujić, Zorica and Nikolić, Miloš",
year = "2023",
abstract = "Naproxen, as a propionic acid derivative, causes serious gastrointestinal side effects due to the presence of free carboxylic group. In that sense, masking of carboxylic group with other pharmacophores may be a promising strategy to decrease gastrointestinal toxicity. Thiourea derivatives have been intensively investigated as potential antitumor drugs, whereby their activity is based on potential inhibition of protein kinases, topoisomerases, carbonic anhydrase and sirtuins. In addition, it was shown that inhibition of certain protein kinases might reverse resistance to chemotherapeutic drugs by enhancing the cell death in the presence of low concentrations of drug. Twenty new thiourea derivatives of naproxen were designed and their binding to four selected protein kinases involved in tumor multidrug resistance (AKT2, mTOR, EGFR and VEGFR1) was estimated using two molecular docking programs (AutoDock Vina and OEDocking). According to OEDocking, the highest potential to inhibit AKT2 and mTor has derivative 1, while derivative 20 demonstrates the highest potential towards EGFR and VEGFR1. According to AutoDock Vina, the highest potential for inhibition of EGFR, AKT2 and VEGFR1 have derivatives 16 and 17. Therefore, derivatives 1, 16, 17 and 20 are potentially the most potent protein kinase inhibitors that could be further synthesized and tested for anticancer activity.",
publisher = "Sciendo",
journal = "Experimental and Applied Biomedical Research (EABR)",
title = "Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Antitumor Activity",
volume = "24",
number = "3",
pages = "235-242",
doi = "10.2478/sjecr-2021-0037"
}

Nedeljković, N., Dobričić, V., Mijajlović, M., Vujić, Z.,& Nikolić, M.. (2023). Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Antitumor Activity. in Experimental and Applied Biomedical Research (EABR)
Sciendo., 24(3), 235-242.
https://doi.org/10.2478/sjecr-2021-0037

Nedeljković N, Dobričić V, Mijajlović M, Vujić Z, Nikolić M. Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Antitumor Activity. in Experimental and Applied Biomedical Research (EABR). 2023;24(3):235-242.
doi:10.2478/sjecr-2021-0037 .

Nedeljković, Nikola, Dobričić, Vladimir, Mijajlović, Marina, Vujić, Zorica, Nikolić, Miloš, "Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Antitumor Activity" in Experimental and Applied Biomedical Research (EABR), 24, no. 3 (2023):235-242,
https://doi.org/10.2478/sjecr-2021-0037 . .

TY  - JOUR
AU  - Turković, Nemanja
AU  - Anđelković, Nastasija
AU  - Obradović, Darija
AU  - Vujić, Zorica
AU  - Ivković, Branka
PY  - 2023
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5031
AB  - Defining  the  interaction  of  newly  synthesized  compounds  with plasma proteins is an important step in the drug development process. Chromatographic techniques can be successfully used in predicting the biopharmaceutical and pharmacokinetic properties of newly synthesized compounds. The aim of this study is to investigate and isolate the most important molecular properties that affect the interaction of 20 newly synthesized chalcones and commercial compounds (lopinavir, ritonavir, darunavir and ivermectin) with human serum albumin (HSA). The retention behaviour of the selected compounds was tested on a CHIRALPAK®HSA column. A mixture of phosphate buffer (pH 7.0) and isopropanol (80:20 volume ratio) was used as the mobile phase, and the support vector method was used to form the quantitative structure retention relationship (QSRR) model. Based on the obtained values of retention parameters, it was observed that halogenated derivatives show the strongest, and methylated chalcone derivatives the weakest interaction with HSA. By correlating the retention and physicochemical properties of the tested compounds, it was  shown  that  the  structural  (SDSCH)  and  electronic  properties  (MAXQ, EEM_F1) groups have the greatest influence on the retention behaviour and the interaction of the tested compounds with HSA. The obtained QSRR model can be applied in the prediction of the retention characteristics of new, structurally related chalcone derivatives on HSA stationary phase.
AB  - Дефинисање интеракције новосинтетисаних једињења са протеинима плазме је важан корак у процесу развоја лекова. Хроматографске технике се могу успешнo користити у предикцији биофармацеутских и фармакокинетичких особина новосинтетисаних једињења. Циљ овог рада је испитивање и издвајање најзначајнијих молекулских особина које утичу на интеракцију  24  новосинтетисаних халкона и њима сродних једињења са хуманим серумским албумином  (HSA).  Ретенционо понашање одабраних једињења је испитано на  CHIRALPAK®HSA колони. Као мобилна фаза коришћена је смеша фосфатног пуфера (pH 7,0) и изопропанола (запр. однос 80:20). У формирању QSRR модела коришћена је метода вектора подршке. На основу добијених вредности ретенционих параметара уочено је да халогеновани деривати показују најјачу, а метиловани деривати халкона најслабију интеракцију са HSA. Доводећи у корелацију ретенцију ифизичко-хемијска својства испитиваних једињења показало се да структурне  (SDSCH)  и електронске особине  (MAXQ,EEM_F1)  група највише утичу на ретенционо понашање и интеракцију испитиваних једињења са HSA. Добијени QSRR модел се може применити у предикцији ретенционих карактеристика нових, структурно-сродних деривата халконана HSA стационарној фази.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - Application of liquid chromatography in defining the interaction of newly synthesized chalcones and related compounds with human serum albumin
T1  - Примена течне хроматографије у дефинисању интеракција новосинтетисаних халкона и сродних супстанци са хуманим серумским албуминима
VL  - 88
IS  - 7-8
SP  - 765
EP  - 776
DO  - 10.2298/JSC221212033T
ER  - 

@article{
author = "Turković, Nemanja and Anđelković, Nastasija and Obradović, Darija and Vujić, Zorica and Ivković, Branka",
year = "2023",
abstract = "Defining  the  interaction  of  newly  synthesized  compounds  with plasma proteins is an important step in the drug development process. Chromatographic techniques can be successfully used in predicting the biopharmaceutical and pharmacokinetic properties of newly synthesized compounds. The aim of this study is to investigate and isolate the most important molecular properties that affect the interaction of 20 newly synthesized chalcones and commercial compounds (lopinavir, ritonavir, darunavir and ivermectin) with human serum albumin (HSA). The retention behaviour of the selected compounds was tested on a CHIRALPAK®HSA column. A mixture of phosphate buffer (pH 7.0) and isopropanol (80:20 volume ratio) was used as the mobile phase, and the support vector method was used to form the quantitative structure retention relationship (QSRR) model. Based on the obtained values of retention parameters, it was observed that halogenated derivatives show the strongest, and methylated chalcone derivatives the weakest interaction with HSA. By correlating the retention and physicochemical properties of the tested compounds, it was  shown  that  the  structural  (SDSCH)  and  electronic  properties  (MAXQ, EEM_F1) groups have the greatest influence on the retention behaviour and the interaction of the tested compounds with HSA. The obtained QSRR model can be applied in the prediction of the retention characteristics of new, structurally related chalcone derivatives on HSA stationary phase., Дефинисање интеракције новосинтетисаних једињења са протеинима плазме је важан корак у процесу развоја лекова. Хроматографске технике се могу успешнo користити у предикцији биофармацеутских и фармакокинетичких особина новосинтетисаних једињења. Циљ овог рада је испитивање и издвајање најзначајнијих молекулских особина које утичу на интеракцију  24  новосинтетисаних халкона и њима сродних једињења са хуманим серумским албумином  (HSA).  Ретенционо понашање одабраних једињења је испитано на  CHIRALPAK®HSA колони. Као мобилна фаза коришћена је смеша фосфатног пуфера (pH 7,0) и изопропанола (запр. однос 80:20). У формирању QSRR модела коришћена је метода вектора подршке. На основу добијених вредности ретенционих параметара уочено је да халогеновани деривати показују најјачу, а метиловани деривати халкона најслабију интеракцију са HSA. Доводећи у корелацију ретенцију ифизичко-хемијска својства испитиваних једињења показало се да структурне  (SDSCH)  и електронске особине  (MAXQ,EEM_F1)  група највише утичу на ретенционо понашање и интеракцију испитиваних једињења са HSA. Добијени QSRR модел се може применити у предикцији ретенционих карактеристика нових, структурно-сродних деривата халконана HSA стационарној фази.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "Application of liquid chromatography in defining the interaction of newly synthesized chalcones and related compounds with human serum albumin, Примена течне хроматографије у дефинисању интеракција новосинтетисаних халкона и сродних супстанци са хуманим серумским албуминима",
volume = "88",
number = "7-8",
pages = "765-776",
doi = "10.2298/JSC221212033T"
}

Turković, N., Anđelković, N., Obradović, D., Vujić, Z.,& Ivković, B.. (2023). Application of liquid chromatography in defining the interaction of newly synthesized chalcones and related compounds with human serum albumin. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 88(7-8), 765-776.
https://doi.org/10.2298/JSC221212033T

Turković N, Anđelković N, Obradović D, Vujić Z, Ivković B. Application of liquid chromatography in defining the interaction of newly synthesized chalcones and related compounds with human serum albumin. in Journal of the Serbian Chemical Society. 2023;88(7-8):765-776.
doi:10.2298/JSC221212033T .

Turković, Nemanja, Anđelković, Nastasija, Obradović, Darija, Vujić, Zorica, Ivković, Branka, "Application of liquid chromatography in defining the interaction of newly synthesized chalcones and related compounds with human serum albumin" in Journal of the Serbian Chemical Society, 88, no. 7-8 (2023):765-776,
https://doi.org/10.2298/JSC221212033T . .

TY  - CONF
AU  - Nedeljković, Nikola
AU  - Dobričić, Vladimir
AU  - Mijajlović, Marina
AU  - Vujić, Zorica
AU  - Nikolić, Miloš
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4996
AB  - Administration of current non-steroidal anti-inflammatory drugs is often associated with
serious adverse effects. Therefore, there is a constant need to develop new molecules with anti-
inflammatory activity. On the other hand, thiourea derivatives of non-steroidal anti-inflammatory
drugs demonstrated significant anti-inflammatory activity in numerous studies. To clarify anti-
inflammatory mechanism of action, in silico study was performed on four thiourea derivatives of
naproxen, which were selected from the initial group of compounds synthesized by our research
group. Tested compounds contain p-fluoroaniline (16), p-methoxyaniline (17), p-ethoxyaniline (18)
and aniline (19) in the side chains. Selected 3D structures of enzymes COX-2 (3NT1) and 5-LOX
(6NCF) were taken from PDB database. MAKE Receptor 3.2.0.2 software (OpenEye Scientific Software,
Inc, Santa Fe, NM, United States) was used for preparation of enzymes’ active sites, while ligands
were prepared in OMEGA 2.5.1.4. FRED 3.2.0.2 software (OpenEye Scientific Software, Inc, Santa
Fe, NM, United States) was employed for the analysis of binding poses into enzymes’ active sites.
All tested compounds showed key binding interactions with both enzymes. The highest number
of key binding interactions was observed during molecular fitting of derivative 19 into the active
site of COX-2 and derivatives 16 and 18 into the 5-LOX. Derivative 17 had the lowest value of free
binding energy for both target enzymes (−14.90 kcal/mol for COX-2 and −9.57 kcal/mol for 5-LOX).
Therefore, all analyzed compounds represent potential dual inhibitors of mentioned enzymes.
PB  - MDPI
C3  - Medical Sciences Forum
T1  - Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Anti-Inflammatory Activity
VL  - 14
IS  - 1
DO  - 10.3390/ECMC2022-13279
ER  - 

@conference{
author = "Nedeljković, Nikola and Dobričić, Vladimir and Mijajlović, Marina and Vujić, Zorica and Nikolić, Miloš",
year = "2022",
abstract = "Administration of current non-steroidal anti-inflammatory drugs is often associated with
serious adverse effects. Therefore, there is a constant need to develop new molecules with anti-
inflammatory activity. On the other hand, thiourea derivatives of non-steroidal anti-inflammatory
drugs demonstrated significant anti-inflammatory activity in numerous studies. To clarify anti-
inflammatory mechanism of action, in silico study was performed on four thiourea derivatives of
naproxen, which were selected from the initial group of compounds synthesized by our research
group. Tested compounds contain p-fluoroaniline (16), p-methoxyaniline (17), p-ethoxyaniline (18)
and aniline (19) in the side chains. Selected 3D structures of enzymes COX-2 (3NT1) and 5-LOX
(6NCF) were taken from PDB database. MAKE Receptor 3.2.0.2 software (OpenEye Scientific Software,
Inc, Santa Fe, NM, United States) was used for preparation of enzymes’ active sites, while ligands
were prepared in OMEGA 2.5.1.4. FRED 3.2.0.2 software (OpenEye Scientific Software, Inc, Santa
Fe, NM, United States) was employed for the analysis of binding poses into enzymes’ active sites.
All tested compounds showed key binding interactions with both enzymes. The highest number
of key binding interactions was observed during molecular fitting of derivative 19 into the active
site of COX-2 and derivatives 16 and 18 into the 5-LOX. Derivative 17 had the lowest value of free
binding energy for both target enzymes (−14.90 kcal/mol for COX-2 and −9.57 kcal/mol for 5-LOX).
Therefore, all analyzed compounds represent potential dual inhibitors of mentioned enzymes.",
publisher = "MDPI",
journal = "Medical Sciences Forum",
title = "Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Anti-Inflammatory Activity",
volume = "14",
number = "1",
doi = "10.3390/ECMC2022-13279"
}

Nedeljković, N., Dobričić, V., Mijajlović, M., Vujić, Z.,& Nikolić, M.. (2022). Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Anti-Inflammatory Activity. in Medical Sciences Forum
MDPI., 14(1).
https://doi.org/10.3390/ECMC2022-13279

Nedeljković N, Dobričić V, Mijajlović M, Vujić Z, Nikolić M. Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Anti-Inflammatory Activity. in Medical Sciences Forum. 2022;14(1).
doi:10.3390/ECMC2022-13279 .

Nedeljković, Nikola, Dobričić, Vladimir, Mijajlović, Marina, Vujić, Zorica, Nikolić, Miloš, "Molecular Docking Analysis of Novel Thiourea Derivatives of Naproxen with Potential Anti-Inflammatory Activity" in Medical Sciences Forum, 14, no. 1 (2022),
https://doi.org/10.3390/ECMC2022-13279 . .

TY  - CONF
AU  - Turković, Nemanja
AU  - Tasić, Milica
AU  - Kotur-Stevuljević, Jelena
AU  - Vujić, Zorica
AU  - Ivković, Branka
AU  - Ivković, Aleksandar
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4491
AB  - The discovery of HIV and the study of molecular mechanisms crucial for the virus
replication cycle have led to the identification of important protein structures - potential
targets of drug action in AIDS therapy. One of the most significant discoveries is HIV-1
protease (PR), an enzyme that plays a key role in the HIV replication cycle (1). This study
aimed to test and demonstrate the interactions of newly synthesized chalcones (1,3-diaryl-2-
propen-1-one) as well as three commercial drugs (lopinavir, ritonavir and darunavir) in the
active site of HIV-1 protease using in sillico methods. and that the results obtained correlate
with the results of in vitro tests on the enzyme itself. The twenty structurally similar
chalcone derivatives were synthesized and their physico-chemical characterization was
performed. Docking calculations were performed using the Autodock Wine program in the
3D structure of the enzime catalytic site (pdb code: 6B36). The inhibition of enzyme activity
was monitored by fluorimetric method (2). The obtained results revealed that all compounds
showed anti-HIV-1 protease activity. Compound C1 showed the highest inhibitory activity
with an IC 50 values of 0.001 μM which is comparable with commercial product Darunavir.
The results obtained indicate that the synthesized compounds can be classified as potential
anti-HIV-1 protease inhibitors. Further research is focused on testing the ADMET properties
of the synthesized compounds as well as the synthesis of their analogues for which in silico
tests have shown satisfactory results.
AB  - Otkrić e HIV-a i istraživanje molekularnih mehanizama ključnih za ciklus replikacije
virusa dovelo je do identifikacije važnih proteinskih struktura - potencijalnih ciljnih mesta
dejstva lekova u terapiji AIDS-a. Jedno od najznačajnijih otkrića je HIV-1 proteaza (PR),
enzim koji ima ključnu ulogu u ciklusu replikacije HIV-a (1). Ova studija imala je za cilj da
primenom in sillico metoda ispita i prikaže interakcije novosintetisanih halkona (1,3-diaril-2-
propen-1-ona) kao i tri komercijalna leka (lopinavira, ritonavira i darunavira) u aktivnom
mestu HIV-1 proteaze i da dobijene rezultate koreliše sa rezultatima in vitro testova na
samom enzimu. Sintetisano je dvadeset strukturno sličnih derivata halkona i izvršena
njihova fizičko-hemijska karakterizacija. Docking studije izvedene su u programu Autodock
Vine u 3D strukturi enzimskog katalitičkog mesta (pdb kod: 6B36). Inhibicija enzimske
aktivnosti određena je primenom fluorimetrijske metode (2). Dobijeni rezultati ukazuju da
svih 20 jedinjenja ispoljava anti-HIV-1 proteaznu aktivnost. Jedinjenje HNT1 je pokazalo
najveć u inhibitornu aktivnost sa vrednostima IC50 od 0,001 μM što je uporedivo sa
komercijalnim proizvodom darunavirom. Dobijeni rezultati ukazuju da se sitetisana
jedinjenja mogu klasifikovati kao potencijalni anti-HIV-1 proteazni inhibitori. Dalje
istraživanje je usmereno na ispitivanju ADMET osobina sintetisanih jedinjenja kao i sintezi
njihovih analoga za koje su in silico ispitivanja pokazala zadovoljavajuće rezultate.
PB  - Savez farmaceutskih udruženja Srbije (SFUS)
C3  - Arhiv za farmaciju
T1  - Chalcones are potential inhibitors of HIV-1 protease
T1  - Halkoni potencijalni inhibitori HIV‐1 proteaze
VL  - 72
IS  - 4 suplement
SP  - S186
EP  - S187
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4491
ER  - 

@conference{
author = "Turković, Nemanja and Tasić, Milica and Kotur-Stevuljević, Jelena and Vujić, Zorica and Ivković, Branka and Ivković, Aleksandar",
year = "2022",
abstract = "The discovery of HIV and the study of molecular mechanisms crucial for the virus
replication cycle have led to the identification of important protein structures - potential
targets of drug action in AIDS therapy. One of the most significant discoveries is HIV-1
protease (PR), an enzyme that plays a key role in the HIV replication cycle (1). This study
aimed to test and demonstrate the interactions of newly synthesized chalcones (1,3-diaryl-2-
propen-1-one) as well as three commercial drugs (lopinavir, ritonavir and darunavir) in the
active site of HIV-1 protease using in sillico methods. and that the results obtained correlate
with the results of in vitro tests on the enzyme itself. The twenty structurally similar
chalcone derivatives were synthesized and their physico-chemical characterization was
performed. Docking calculations were performed using the Autodock Wine program in the
3D structure of the enzime catalytic site (pdb code: 6B36). The inhibition of enzyme activity
was monitored by fluorimetric method (2). The obtained results revealed that all compounds
showed anti-HIV-1 protease activity. Compound C1 showed the highest inhibitory activity
with an IC 50 values of 0.001 μM which is comparable with commercial product Darunavir.
The results obtained indicate that the synthesized compounds can be classified as potential
anti-HIV-1 protease inhibitors. Further research is focused on testing the ADMET properties
of the synthesized compounds as well as the synthesis of their analogues for which in silico
tests have shown satisfactory results., Otkrić e HIV-a i istraživanje molekularnih mehanizama ključnih za ciklus replikacije
virusa dovelo je do identifikacije važnih proteinskih struktura - potencijalnih ciljnih mesta
dejstva lekova u terapiji AIDS-a. Jedno od najznačajnijih otkrića je HIV-1 proteaza (PR),
enzim koji ima ključnu ulogu u ciklusu replikacije HIV-a (1). Ova studija imala je za cilj da
primenom in sillico metoda ispita i prikaže interakcije novosintetisanih halkona (1,3-diaril-2-
propen-1-ona) kao i tri komercijalna leka (lopinavira, ritonavira i darunavira) u aktivnom
mestu HIV-1 proteaze i da dobijene rezultate koreliše sa rezultatima in vitro testova na
samom enzimu. Sintetisano je dvadeset strukturno sličnih derivata halkona i izvršena
njihova fizičko-hemijska karakterizacija. Docking studije izvedene su u programu Autodock
Vine u 3D strukturi enzimskog katalitičkog mesta (pdb kod: 6B36). Inhibicija enzimske
aktivnosti određena je primenom fluorimetrijske metode (2). Dobijeni rezultati ukazuju da
svih 20 jedinjenja ispoljava anti-HIV-1 proteaznu aktivnost. Jedinjenje HNT1 je pokazalo
najveć u inhibitornu aktivnost sa vrednostima IC50 od 0,001 μM što je uporedivo sa
komercijalnim proizvodom darunavirom. Dobijeni rezultati ukazuju da se sitetisana
jedinjenja mogu klasifikovati kao potencijalni anti-HIV-1 proteazni inhibitori. Dalje
istraživanje je usmereno na ispitivanju ADMET osobina sintetisanih jedinjenja kao i sintezi
njihovih analoga za koje su in silico ispitivanja pokazala zadovoljavajuće rezultate.",
publisher = "Savez farmaceutskih udruženja Srbije (SFUS)",
journal = "Arhiv za farmaciju",
title = "Chalcones are potential inhibitors of HIV-1 protease, Halkoni potencijalni inhibitori HIV‐1 proteaze",
volume = "72",
number = "4 suplement",
pages = "S186-S187",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4491"
}

Turković, N., Tasić, M., Kotur-Stevuljević, J., Vujić, Z., Ivković, B.,& Ivković, A.. (2022). Chalcones are potential inhibitors of HIV-1 protease. in Arhiv za farmaciju
Savez farmaceutskih udruženja Srbije (SFUS)., 72(4 suplement), S186-S187.
https://hdl.handle.net/21.15107/rcub_farfar_4491

Turković N, Tasić M, Kotur-Stevuljević J, Vujić Z, Ivković B, Ivković A. Chalcones are potential inhibitors of HIV-1 protease. in Arhiv za farmaciju. 2022;72(4 suplement):S186-S187.
https://hdl.handle.net/21.15107/rcub_farfar_4491 .

Turković, Nemanja, Tasić, Milica, Kotur-Stevuljević, Jelena, Vujić, Zorica, Ivković, Branka, Ivković, Aleksandar, "Chalcones are potential inhibitors of HIV-1 protease" in Arhiv za farmaciju, 72, no. 4 suplement (2022):S186-S187,
https://hdl.handle.net/21.15107/rcub_farfar_4491 .

TY  - JOUR
AU  - Obradović, Darija
AU  - Komsta, Lukasz
AU  - Stavrianidi Nikolaevič, Andrey
AU  - Shpigun Aleksejevič, Oleg
AU  - Pokrovskiy Igorevič, Oleg
AU  - Vujić, Zorica
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4250
AB  - The experimental design methodology based on central composite design of experiments was applied
to compare the retention mechanisms in supercritical fluid chromatography (SFC) and non-aqueous hy-
drophilic interaction liquid chromatography (NA-HILIC). The selected set consists of 26 compounds that
belong to imidazoline and serotonin receptor ligands. The different chemometric tools (multiple linear
regression, principal component analysis, parallel factor analysis) were used to examine the retention, as
well as to identify the most significant retention mechanisms. The retention mechanism was investigated
on two different stationary phases (diol, and mixed-mode diol). In NA-HILIC, the mobile phase contains
acetonitrile as a main component, and methanolic solution of ammonium formate (+ 0.1% of formic acid)
as a modifier. The same mobile phase modifier was used in SFC, with a difference in the main component
of the mobile phase which was CO2.
The retention behaviour differs significantly between HILIC and SFC conditions. The retention pattern
in HILIC mode was more partition-like, while in SFC the solute-sorbent interactions allowed retention.
The retention mechanism between mixed-mode diol and the diol phases varies depending on the applied
chromatographic mode, e.g., in HILIC the type of stationary phase significantly affects the elution order,
while in SFC this was not the case. The HILIC retention behaviour was influenced by the number of
tertiary amines-aliphatic, and N atom-centred fragments in tested compounds. On the other hand, the
number of pyrrole and pyridine rings in the structure of the compound showed correlation with their
SFC retention, simultaneously increasing the molecular weight and rapid elution of larger compounds. It
was found that temperature surprisingly plays a major role in SFC mode. The increase in temperature
reduces the relative contribution of enthalpy factors to total retention, so the separation in SFC was more
entropy-controlled. For further pharmaceutical research and optimization, the SFC would be considered
more beneficial compared to HILIC since it gives good selectivity in separation of chosen impurities.
PB  - Elsevier B.V.
T2  - Journal of Chromatography A
T1  - Retention mechanisms of imidazolin and piperazine-related compounds in non-aqueous hydrophilic interaction and supercritical fluid chromatography based on chemometric design and analysis
VL  - 1678
DO  - 10.1016/j.chroma.2022.463340
ER  - 

@article{
author = "Obradović, Darija and Komsta, Lukasz and Stavrianidi Nikolaevič, Andrey and Shpigun Aleksejevič, Oleg and Pokrovskiy Igorevič, Oleg and Vujić, Zorica",
year = "2022",
abstract = "The experimental design methodology based on central composite design of experiments was applied
to compare the retention mechanisms in supercritical fluid chromatography (SFC) and non-aqueous hy-
drophilic interaction liquid chromatography (NA-HILIC). The selected set consists of 26 compounds that
belong to imidazoline and serotonin receptor ligands. The different chemometric tools (multiple linear
regression, principal component analysis, parallel factor analysis) were used to examine the retention, as
well as to identify the most significant retention mechanisms. The retention mechanism was investigated
on two different stationary phases (diol, and mixed-mode diol). In NA-HILIC, the mobile phase contains
acetonitrile as a main component, and methanolic solution of ammonium formate (+ 0.1% of formic acid)
as a modifier. The same mobile phase modifier was used in SFC, with a difference in the main component
of the mobile phase which was CO2.
The retention behaviour differs significantly between HILIC and SFC conditions. The retention pattern
in HILIC mode was more partition-like, while in SFC the solute-sorbent interactions allowed retention.
The retention mechanism between mixed-mode diol and the diol phases varies depending on the applied
chromatographic mode, e.g., in HILIC the type of stationary phase significantly affects the elution order,
while in SFC this was not the case. The HILIC retention behaviour was influenced by the number of
tertiary amines-aliphatic, and N atom-centred fragments in tested compounds. On the other hand, the
number of pyrrole and pyridine rings in the structure of the compound showed correlation with their
SFC retention, simultaneously increasing the molecular weight and rapid elution of larger compounds. It
was found that temperature surprisingly plays a major role in SFC mode. The increase in temperature
reduces the relative contribution of enthalpy factors to total retention, so the separation in SFC was more
entropy-controlled. For further pharmaceutical research and optimization, the SFC would be considered
more beneficial compared to HILIC since it gives good selectivity in separation of chosen impurities.",
publisher = "Elsevier B.V.",
journal = "Journal of Chromatography A",
title = "Retention mechanisms of imidazolin and piperazine-related compounds in non-aqueous hydrophilic interaction and supercritical fluid chromatography based on chemometric design and analysis",
volume = "1678",
doi = "10.1016/j.chroma.2022.463340"
}

Obradović, D., Komsta, L., Stavrianidi Nikolaevič, A., Shpigun Aleksejevič, O., Pokrovskiy Igorevič, O.,& Vujić, Z.. (2022). Retention mechanisms of imidazolin and piperazine-related compounds in non-aqueous hydrophilic interaction and supercritical fluid chromatography based on chemometric design and analysis. in Journal of Chromatography A
Elsevier B.V.., 1678.
https://doi.org/10.1016/j.chroma.2022.463340

Obradović D, Komsta L, Stavrianidi Nikolaevič A, Shpigun Aleksejevič O, Pokrovskiy Igorevič O, Vujić Z. Retention mechanisms of imidazolin and piperazine-related compounds in non-aqueous hydrophilic interaction and supercritical fluid chromatography based on chemometric design and analysis. in Journal of Chromatography A. 2022;1678.
doi:10.1016/j.chroma.2022.463340 .

Obradović, Darija, Komsta, Lukasz, Stavrianidi Nikolaevič, Andrey, Shpigun Aleksejevič, Oleg, Pokrovskiy Igorevič, Oleg, Vujić, Zorica, "Retention mechanisms of imidazolin and piperazine-related compounds in non-aqueous hydrophilic interaction and supercritical fluid chromatography based on chemometric design and analysis" in Journal of Chromatography A, 1678 (2022),
https://doi.org/10.1016/j.chroma.2022.463340 . .

TY  - CONF
AU  - Ivković, Branka
AU  - Božić, Dragana
AU  - Kotur-Stevuljević, Jelena
AU  - Krajišnik, Danina
AU  - Vujić, Zorica
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4598
AB  - The global market for antiseptics and disinfectants is growing rapidly, fueled by a
coronavirus pandemic and a possible outbreak of infectious diseases in the future. The
antimicrobial, anti-inflammatory and redox activity of chalcone (1,3-diaryl-2-propen-1-one)
is well documented in the literature. The aim of this study is screening of antimicrobial
activity of chalcones and their saturated derivatives as active pharmaceutical ingredients,
synthesized by Claisen-Schmidt condensation (1). The redox potential of the investigated
compounds was tested in the biological environment using spectrophotometric methods to
determine prooxidant/antioxidant parameters. Within preformulation studies solubility and
compatibility with excipients commonly used in liquid pharmaceutical dosage forms was
performed. All the tested chalcones and their saturated derivatives showed satisfactory
antimicrobial activity, but two saturated chalcones showed the best MIC (0.156 - 1.25 mM)
and were categorized as compounds with strong bacteriostatic activity (2). Solubility of the
chalcons with moderate antimicrobial activity and redox potential was higher than its
minimum bacteriostatic and bactericidal concentration in all the tested solvents (ethanol,
isopropyl alcohol and propylene glycol). Based on the chemical structure and predicted logP
values for saturated chalcones that show stronger antimicrobial activity, better water
solubility is expected. These data could be a starting point for formulations of antiseptics and
disinfectants with lower concentrations of alcohol-based solvents, as the synergism between
saturated chalcone and ethanol and isopropyl alcohol was previously shown. Considering the
lighter color of the saturated chalcone, better aesthetic acceptability of the developed
formulations is expected, since it will not stain the skin and objects during application.
AB  - Globalno tržište antiseptika i dezinfekcionih sredstava ubrzano raste podstaknuto
pandemijom koronavirusa i moguć im širenjem drugih zaraznih bolesti u buduć nosti.
Antimikrobna, antiinflamatorna i redoks aktivnost halkona (1,3-diaril-2-propen-1-ona) je
dobro dokumentovana u literaturi. Cilj ove studije bio je skrining antimikrobne aktivnosti
halkona i njihovih zasić enih derivata kao aktivnih farmaceutskih sastojaka, sintetisanih
Claisen‐Schmidt kondenzacijom (1). Redoks potencijal ispitivanih jedinjenja je ispitan u
biosredini primenom spektrofotometrijskih metoda za određivanje
prooksidantnih/antioksidativnih parametara. Sprovedena su i preformulaciona ispitivanja
rastvorljivosti i kompatibilnosti sa ekscipijensima uobičajeno korišćenim u tečnim
farmaceutskim oblicima. Svi testirani halkoni i njihovi zasić eni derivati su pokazali
zadovoljavajuć u antimikrobnu aktivnost, ali su dva zasić ena halkona pokazala najbolji MIC
(0,156 – 1,25 mM) i kategorisana su kao jedinjenja sa jakom bakteriostatskom aktivnošć u
(2). Rastvorljivost halkona sa umerenom antimikrobnom aktivnošću i redoks potencijalom
bili su viši od njegove minimalne bakteriostatske i baktericidne koncentracije u svim
ispitivanim rastvaračima (etanol, izopropil alkohol i propilenglikol). Na osnovu hemijske
strukture i predviđene logP vrednosti za zasićene halkone koji pokazuju bolju antimikrobnu
aktivnost, očekuje se i bolja rastvorljivost u vodi. Ovi podaci mogli bi da budu polazna osnova
za formulisanje antiseptika i dezinfekcionih sredstava sa nižim koncentracijama rastvarača
na bazi alkohola, uzimajući u obzir da je u prethodnom ispitivanju pokazan sinergizam
između zasićenog halkona i etanola, kao i izopropil alkohola. S obzirom na svetliju boju
zasićenog halkona, očekuje se i bolja estetska prihvatljivost razvijenih formulacija, jer neć e
bojiti kožu i predmete tokom nanošenja.
PB  - Savez farmaceutskih udruženja Srbije (SFUS)
C3  - Arhiv za farmaciju
T1  - Chalcone derivatives as potential antiseptics and disinfectants
T1  - Derivati halkona kao potentijalni antiseptici i dezinficijensi
VL  - 72
IS  - 4 suplement
SP  - S532
EP  - S533
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4598
ER  - 

@conference{
author = "Ivković, Branka and Božić, Dragana and Kotur-Stevuljević, Jelena and Krajišnik, Danina and Vujić, Zorica",
year = "2022",
abstract = "The global market for antiseptics and disinfectants is growing rapidly, fueled by a
coronavirus pandemic and a possible outbreak of infectious diseases in the future. The
antimicrobial, anti-inflammatory and redox activity of chalcone (1,3-diaryl-2-propen-1-one)
is well documented in the literature. The aim of this study is screening of antimicrobial
activity of chalcones and their saturated derivatives as active pharmaceutical ingredients,
synthesized by Claisen-Schmidt condensation (1). The redox potential of the investigated
compounds was tested in the biological environment using spectrophotometric methods to
determine prooxidant/antioxidant parameters. Within preformulation studies solubility and
compatibility with excipients commonly used in liquid pharmaceutical dosage forms was
performed. All the tested chalcones and their saturated derivatives showed satisfactory
antimicrobial activity, but two saturated chalcones showed the best MIC (0.156 - 1.25 mM)
and were categorized as compounds with strong bacteriostatic activity (2). Solubility of the
chalcons with moderate antimicrobial activity and redox potential was higher than its
minimum bacteriostatic and bactericidal concentration in all the tested solvents (ethanol,
isopropyl alcohol and propylene glycol). Based on the chemical structure and predicted logP
values for saturated chalcones that show stronger antimicrobial activity, better water
solubility is expected. These data could be a starting point for formulations of antiseptics and
disinfectants with lower concentrations of alcohol-based solvents, as the synergism between
saturated chalcone and ethanol and isopropyl alcohol was previously shown. Considering the
lighter color of the saturated chalcone, better aesthetic acceptability of the developed
formulations is expected, since it will not stain the skin and objects during application., Globalno tržište antiseptika i dezinfekcionih sredstava ubrzano raste podstaknuto
pandemijom koronavirusa i moguć im širenjem drugih zaraznih bolesti u buduć nosti.
Antimikrobna, antiinflamatorna i redoks aktivnost halkona (1,3-diaril-2-propen-1-ona) je
dobro dokumentovana u literaturi. Cilj ove studije bio je skrining antimikrobne aktivnosti
halkona i njihovih zasić enih derivata kao aktivnih farmaceutskih sastojaka, sintetisanih
Claisen‐Schmidt kondenzacijom (1). Redoks potencijal ispitivanih jedinjenja je ispitan u
biosredini primenom spektrofotometrijskih metoda za određivanje
prooksidantnih/antioksidativnih parametara. Sprovedena su i preformulaciona ispitivanja
rastvorljivosti i kompatibilnosti sa ekscipijensima uobičajeno korišćenim u tečnim
farmaceutskim oblicima. Svi testirani halkoni i njihovi zasić eni derivati su pokazali
zadovoljavajuć u antimikrobnu aktivnost, ali su dva zasić ena halkona pokazala najbolji MIC
(0,156 – 1,25 mM) i kategorisana su kao jedinjenja sa jakom bakteriostatskom aktivnošć u
(2). Rastvorljivost halkona sa umerenom antimikrobnom aktivnošću i redoks potencijalom
bili su viši od njegove minimalne bakteriostatske i baktericidne koncentracije u svim
ispitivanim rastvaračima (etanol, izopropil alkohol i propilenglikol). Na osnovu hemijske
strukture i predviđene logP vrednosti za zasićene halkone koji pokazuju bolju antimikrobnu
aktivnost, očekuje se i bolja rastvorljivost u vodi. Ovi podaci mogli bi da budu polazna osnova
za formulisanje antiseptika i dezinfekcionih sredstava sa nižim koncentracijama rastvarača
na bazi alkohola, uzimajući u obzir da je u prethodnom ispitivanju pokazan sinergizam
između zasićenog halkona i etanola, kao i izopropil alkohola. S obzirom na svetliju boju
zasićenog halkona, očekuje se i bolja estetska prihvatljivost razvijenih formulacija, jer neć e
bojiti kožu i predmete tokom nanošenja.",
publisher = "Savez farmaceutskih udruženja Srbije (SFUS)",
journal = "Arhiv za farmaciju",
title = "Chalcone derivatives as potential antiseptics and disinfectants, Derivati halkona kao potentijalni antiseptici i dezinficijensi",
volume = "72",
number = "4 suplement",
pages = "S532-S533",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4598"
}

Ivković, B., Božić, D., Kotur-Stevuljević, J., Krajišnik, D.,& Vujić, Z.. (2022). Chalcone derivatives as potential antiseptics and disinfectants. in Arhiv za farmaciju
Savez farmaceutskih udruženja Srbije (SFUS)., 72(4 suplement), S532-S533.
https://hdl.handle.net/21.15107/rcub_farfar_4598

Ivković B, Božić D, Kotur-Stevuljević J, Krajišnik D, Vujić Z. Chalcone derivatives as potential antiseptics and disinfectants. in Arhiv za farmaciju. 2022;72(4 suplement):S532-S533.
https://hdl.handle.net/21.15107/rcub_farfar_4598 .

Ivković, Branka, Božić, Dragana, Kotur-Stevuljević, Jelena, Krajišnik, Danina, Vujić, Zorica, "Chalcone derivatives as potential antiseptics and disinfectants" in Arhiv za farmaciju, 72, no. 4 suplement (2022):S532-S533,
https://hdl.handle.net/21.15107/rcub_farfar_4598 .

TY  - CONF
AU  - Obradović, Darija
AU  - Vujić, Zorica
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4604
AB  - The characterization of drug-protein plasma interactions is a routinely performed
part of drug discovery process. The unbound concentration of the drug depends on the
binding affinity to plasma proteins, which consequently affects its therapeutic effect,
absorption, distribution, metabolism and excretion (1). The most important plasma proteins
are human serum albumin (HSA), lipoproteins and alpha-1 acid glycoproteins (AGP). The
liquid chromatography can be successfully used for in vitro estimation of plasma protein
binding affinity using HSA or AGP modified silica gel as a stationary phase (2). The
interaction with HSA has been tested for a wide range of 33 pharmacologically active
compounds including dipeptidyl peptidase IV inhibitors, angiotensin-converting enzyme
inhibitors, β-blockers, calcium channel blockers and serotonin/dopamine receptor ligands
under reversed-phase conditions. The drug-HSA interaction was interpreted by using the
retention modeling, and by selecting the most significant structural characteristics that have
an influence on the retention mechanism. The small structural differences, which are
reflected in different lipophilicity and polarity, affect the drug-HSA interaction. The retention
of the compounds was successfully defined by using the quadratic equation. The isocratic
(logk(14%)) and extrapolated factors (b0(LSS)) showed a high correlation with the
experimentally available data, and in silico estimated affinity for HSA. The structural
properties and charged parts of the molecule surface have been found to significantly affect
the HSA mechanism. The obtained results can be successfully applied in further optimization
of the structural characteristics of the newly synthesized compounds in order to achieve the
desired therapeutic and pharmacokinetic effect.
AB  - Karakterizacija interakcije novosintetisanih jedinjenja sa plazma proteinima je
rutinski deo procesa proizvodnje i otkića novih lekova. Slobodna koncentracije lekovite
supstance zavisi od stepena vezivanja za proteine plazme, što posledično utiče na njen
terapijski efekat, apsorpciju, distribuciju, metabolizam i izlučivanje (1). Najznačajniji plazma
proteini su humani serumski albumin (HSA), lipoproteini i alfa-1 kiseli glikoproteini (AGP).
Tečna hromatografija se uspešno koristi za in vitro procenu afiniteta vezivanja lekovite
supstance za plazma proteine primenom modifikovane silika gel stacionarne faze sa HSA-om
ili AGP-om, i korišćenjem mobilne faze čiji sastav simulira fiziološke uslove (2). Za širok
spektar 33 farmakološki aktivnih jedinjenja koja uključuju inhibitore dipeptidil peptidaze IV,
inhibitore angiotenzin konvertujućeg enzima, β-blokatore, blokatore kalcijumovih kanala i
ligande serotoninskih/dopaminskih receptora ispitana je interakcija sa HSA-om u uslovima
reverzno-fazne tečne hromatografije. Lek-plazma protein interakcija je definisana na osnovu
mehanizma zadržavanja na HSA stacionarnoj fazi, primenom metode retencionog
modelovanja, kao i izdavajanjem najznačajnijih strukturnih karakteristika koje utiču na
retenciono ponašanje. Utvrđeno je da male strukturne razlike, koje se ogledaju u različitoj
lipofilnosti i polarnosti, utiču na interakciju sa HSA-om. Kvadratnim modelom je uspešno
definisano retenciono ponašanje ispitivanih jedinjenja. Izokratski (logk(14%)) i
ekstrapolisani retencioni faktor (b0(LSS)) su pokazali visok stepen slaganja sa
eksperimentalno dostupnim i in silico procenjenim afinitetom za HSA. Ustanovljeno je da
strukturna svojstva (broj dvostrukih veza, aromatični prstenovi, benzil, arlil supstituenti) i
naleketrisani fragmenti površine molekula značajno utiču na HSA interakciju. Dobijeni
rezultati se mogu uspešno primeniti u daljoj optimizaciji strukturnih karakteristika
novosintetisanih jedinjenja i postizanja željenih terapijskih i farmakokinetičkih ciljeva.
PB  - Savez farmaceutskih udruženja Srbije (SFUS)
C3  - Arhiv za farmaciju
T1  - In vitro estimation and characterization of drug-plasma protein interaction
T1  - In vitro procena i karakterizacija lek‐plazma protein interakcije
VL  - 72
IS  - 4 suplement
SP  - S546
EP  - S547
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4604
ER  - 

@conference{
author = "Obradović, Darija and Vujić, Zorica",
year = "2022",
abstract = "The characterization of drug-protein plasma interactions is a routinely performed
part of drug discovery process. The unbound concentration of the drug depends on the
binding affinity to plasma proteins, which consequently affects its therapeutic effect,
absorption, distribution, metabolism and excretion (1). The most important plasma proteins
are human serum albumin (HSA), lipoproteins and alpha-1 acid glycoproteins (AGP). The
liquid chromatography can be successfully used for in vitro estimation of plasma protein
binding affinity using HSA or AGP modified silica gel as a stationary phase (2). The
interaction with HSA has been tested for a wide range of 33 pharmacologically active
compounds including dipeptidyl peptidase IV inhibitors, angiotensin-converting enzyme
inhibitors, β-blockers, calcium channel blockers and serotonin/dopamine receptor ligands
under reversed-phase conditions. The drug-HSA interaction was interpreted by using the
retention modeling, and by selecting the most significant structural characteristics that have
an influence on the retention mechanism. The small structural differences, which are
reflected in different lipophilicity and polarity, affect the drug-HSA interaction. The retention
of the compounds was successfully defined by using the quadratic equation. The isocratic
(logk(14%)) and extrapolated factors (b0(LSS)) showed a high correlation with the
experimentally available data, and in silico estimated affinity for HSA. The structural
properties and charged parts of the molecule surface have been found to significantly affect
the HSA mechanism. The obtained results can be successfully applied in further optimization
of the structural characteristics of the newly synthesized compounds in order to achieve the
desired therapeutic and pharmacokinetic effect., Karakterizacija interakcije novosintetisanih jedinjenja sa plazma proteinima je
rutinski deo procesa proizvodnje i otkića novih lekova. Slobodna koncentracije lekovite
supstance zavisi od stepena vezivanja za proteine plazme, što posledično utiče na njen
terapijski efekat, apsorpciju, distribuciju, metabolizam i izlučivanje (1). Najznačajniji plazma
proteini su humani serumski albumin (HSA), lipoproteini i alfa-1 kiseli glikoproteini (AGP).
Tečna hromatografija se uspešno koristi za in vitro procenu afiniteta vezivanja lekovite
supstance za plazma proteine primenom modifikovane silika gel stacionarne faze sa HSA-om
ili AGP-om, i korišćenjem mobilne faze čiji sastav simulira fiziološke uslove (2). Za širok
spektar 33 farmakološki aktivnih jedinjenja koja uključuju inhibitore dipeptidil peptidaze IV,
inhibitore angiotenzin konvertujućeg enzima, β-blokatore, blokatore kalcijumovih kanala i
ligande serotoninskih/dopaminskih receptora ispitana je interakcija sa HSA-om u uslovima
reverzno-fazne tečne hromatografije. Lek-plazma protein interakcija je definisana na osnovu
mehanizma zadržavanja na HSA stacionarnoj fazi, primenom metode retencionog
modelovanja, kao i izdavajanjem najznačajnijih strukturnih karakteristika koje utiču na
retenciono ponašanje. Utvrđeno je da male strukturne razlike, koje se ogledaju u različitoj
lipofilnosti i polarnosti, utiču na interakciju sa HSA-om. Kvadratnim modelom je uspešno
definisano retenciono ponašanje ispitivanih jedinjenja. Izokratski (logk(14%)) i
ekstrapolisani retencioni faktor (b0(LSS)) su pokazali visok stepen slaganja sa
eksperimentalno dostupnim i in silico procenjenim afinitetom za HSA. Ustanovljeno je da
strukturna svojstva (broj dvostrukih veza, aromatični prstenovi, benzil, arlil supstituenti) i
naleketrisani fragmenti površine molekula značajno utiču na HSA interakciju. Dobijeni
rezultati se mogu uspešno primeniti u daljoj optimizaciji strukturnih karakteristika
novosintetisanih jedinjenja i postizanja željenih terapijskih i farmakokinetičkih ciljeva.",
publisher = "Savez farmaceutskih udruženja Srbije (SFUS)",
journal = "Arhiv za farmaciju",
title = "In vitro estimation and characterization of drug-plasma protein interaction, In vitro procena i karakterizacija lek‐plazma protein interakcije",
volume = "72",
number = "4 suplement",
pages = "S546-S547",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4604"
}

Obradović, D.,& Vujić, Z.. (2022). In vitro estimation and characterization of drug-plasma protein interaction. in Arhiv za farmaciju
Savez farmaceutskih udruženja Srbije (SFUS)., 72(4 suplement), S546-S547.
https://hdl.handle.net/21.15107/rcub_farfar_4604

Obradović D, Vujić Z. In vitro estimation and characterization of drug-plasma protein interaction. in Arhiv za farmaciju. 2022;72(4 suplement):S546-S547.
https://hdl.handle.net/21.15107/rcub_farfar_4604 .

Obradović, Darija, Vujić, Zorica, "In vitro estimation and characterization of drug-plasma protein interaction" in Arhiv za farmaciju, 72, no. 4 suplement (2022):S546-S547,
https://hdl.handle.net/21.15107/rcub_farfar_4604 .

TY  - CONF
AU  - Obradović, Darija
AU  - Savić, Jelena
AU  - Joksimović, Jovana
AU  - Marković, Bojan
AU  - Vujić, Zorica
PY  - 2022
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4605
AB  - The serotonin receptor ligands, such as structurally related arylpiperazine and
benzothiazepine derivatives, are most commonly used in the treatment of schizophrenia,
depression, and manic disorders. (1). Due to emphasized lipophilicity, their retention can be
successfully defined under the reversed-phase (RP) chromatographic conditions. Using the
experimental design methodology (2), the retention of selected serotonin receptor ligands
(aripiprazole, ziprasidone, risperidone, olanzapine, quetiapine, mirtazapine) was tested on
RP stationary phases, in order to define differences in their retention mechanisms and
ensure the further optimization of separation conditions. The silica modified, C8 and
pentafluorophenylpropyl (PFP) columns were used as stationary phases, while the mobile
phase was a mixture of acetonitrile and ammonium acetate. The experimental plan was
defined according to the central composite design varying the following factors: ammonium
acetate concentration (15-25 mM), volume fraction of acetonitrile (40-50% v/v), and column
temperature (20-30°C). The differences between retention on C8 and PFP columns were
presented by using the radar plots and principal component analysis. The obtained
differences are especially visible in the case of ziprasidone, olanzapine, quetiapine and
mirtazapine, which may explain the occurrence of inversions in their elution order. On C8
phase the separation of structurally related arylpiperazine or benzothiazepine derivatives
was achieved, while the PFP phase showed more successful applicability in the separation of
all tested ligands. The slightly higher values of the selectivity parameter were obtained for
40% of acetonitrile in the mobile phase. In further optimization of the separation conditions,
the PFP bonded stationary phase can be successfully applied.
AB  - Ligandi serotoninskih receptora kao što su strukturno srodni derivati arilpiperazina i
benzotiazepina, najčešće se koriste u terapiji oboljenja centralnog nervnog sistema, poput
šizofrenije, depresije, ili maničnog poremećaja (1). Zbog izraženih lipofilnih karakteristika,
njihovo retenciono ponašanje se može uspešno definisati u uslovima reverzno-fazne
(Reversed‐Phase, RP) tečne hromatografije. Primenom metodologije eksperimentalnog
dizajna (2), retencione karakteristike odabranih liganada serotoninskih receptora
(aripiprazol, ziprazidon, risperidon, olanzapin, kvetiapin, mirtazapin) su ispitane na RP
stacionarnim fazama, sa ciljem definisanja razlika u mehanizmima zadržavanja i daljoj
optimizaciji hromatografskih uslova razdvajanja. Kao stacionarne faze korišćene su C8 i
pentafluorofenilpropil (PFP) kolone, dok je mobilna faza bila smeša acetonitrila i amonijum-
acetata. Plan izvođenja eksperimenta je postavljen prema planu centralnog kompozitnog
dizajna variranjem sledećih hromatografskih faktora: koncentracije amonijum-acetata (15-
25 mM), zapreminskog udela acetonitrila (40-50% v/v) i temperature kolone (20-30°C).
Primenom linearne regresione analize, definisan je uticaj izabranih faktora na promenu
retencionog ponašanja (k) ispitivanih liganada. Korišćenjem radar grafika i primenom
analize glavnih komponenti predstavljene su razlike između mehanizama zadržavanja na C8
i PFP kolonama. Razlike su posebno vidljive u slučaju ziprazidona, olanzapina, kvetiapina i
mirtazapina čime se može objasniti inverzija u njihovom redosledu eluiranja. Uočeno je da
C8 stacionarna faza pogoduje razdvajanju strukturno srodnih arilpiperazina ili strukturno
srodnih derivata benzotiazepina, dok je PFP stacionarna faza pokazala uspešniju
primenljivost u razdvajanju svih ispitivanih liganada. Nešto veće vrednosti parametra
selektivnosti dobijene su na 40% udelu acetonitrila u mobilnoj fazi. U daljoj optimizaciji
hromatografskih uslova razdvajanja ispitivanih liganada, stacionarna faza sa vezanim PFP
grupama se može uspešno primeniti.
PB  - Savez farmaceutskih udruženja Srbije (SFUS)
C3  - Arhiv za farmaciju
T1  - Optimization of reversed-phase conditions for separation of serotonin receptor ligands in liquid chromatography
T1  - Ptimizacija reverzno‐faznih uslova za razdvajanje liganada serotoninskih receptora u tečnoj hromatografiji
VL  - 72
IS  - 4 suplement
SP  - S548
EP  - S549
UR  - https://hdl.handle.net/21.15107/rcub_farfar_4605
ER  - 

@conference{
author = "Obradović, Darija and Savić, Jelena and Joksimović, Jovana and Marković, Bojan and Vujić, Zorica",
year = "2022",
abstract = "The serotonin receptor ligands, such as structurally related arylpiperazine and
benzothiazepine derivatives, are most commonly used in the treatment of schizophrenia,
depression, and manic disorders. (1). Due to emphasized lipophilicity, their retention can be
successfully defined under the reversed-phase (RP) chromatographic conditions. Using the
experimental design methodology (2), the retention of selected serotonin receptor ligands
(aripiprazole, ziprasidone, risperidone, olanzapine, quetiapine, mirtazapine) was tested on
RP stationary phases, in order to define differences in their retention mechanisms and
ensure the further optimization of separation conditions. The silica modified, C8 and
pentafluorophenylpropyl (PFP) columns were used as stationary phases, while the mobile
phase was a mixture of acetonitrile and ammonium acetate. The experimental plan was
defined according to the central composite design varying the following factors: ammonium
acetate concentration (15-25 mM), volume fraction of acetonitrile (40-50% v/v), and column
temperature (20-30°C). The differences between retention on C8 and PFP columns were
presented by using the radar plots and principal component analysis. The obtained
differences are especially visible in the case of ziprasidone, olanzapine, quetiapine and
mirtazapine, which may explain the occurrence of inversions in their elution order. On C8
phase the separation of structurally related arylpiperazine or benzothiazepine derivatives
was achieved, while the PFP phase showed more successful applicability in the separation of
all tested ligands. The slightly higher values of the selectivity parameter were obtained for
40% of acetonitrile in the mobile phase. In further optimization of the separation conditions,
the PFP bonded stationary phase can be successfully applied., Ligandi serotoninskih receptora kao što su strukturno srodni derivati arilpiperazina i
benzotiazepina, najčešće se koriste u terapiji oboljenja centralnog nervnog sistema, poput
šizofrenije, depresije, ili maničnog poremećaja (1). Zbog izraženih lipofilnih karakteristika,
njihovo retenciono ponašanje se može uspešno definisati u uslovima reverzno-fazne
(Reversed‐Phase, RP) tečne hromatografije. Primenom metodologije eksperimentalnog
dizajna (2), retencione karakteristike odabranih liganada serotoninskih receptora
(aripiprazol, ziprazidon, risperidon, olanzapin, kvetiapin, mirtazapin) su ispitane na RP
stacionarnim fazama, sa ciljem definisanja razlika u mehanizmima zadržavanja i daljoj
optimizaciji hromatografskih uslova razdvajanja. Kao stacionarne faze korišćene su C8 i
pentafluorofenilpropil (PFP) kolone, dok je mobilna faza bila smeša acetonitrila i amonijum-
acetata. Plan izvođenja eksperimenta je postavljen prema planu centralnog kompozitnog
dizajna variranjem sledećih hromatografskih faktora: koncentracije amonijum-acetata (15-
25 mM), zapreminskog udela acetonitrila (40-50% v/v) i temperature kolone (20-30°C).
Primenom linearne regresione analize, definisan je uticaj izabranih faktora na promenu
retencionog ponašanja (k) ispitivanih liganada. Korišćenjem radar grafika i primenom
analize glavnih komponenti predstavljene su razlike između mehanizama zadržavanja na C8
i PFP kolonama. Razlike su posebno vidljive u slučaju ziprazidona, olanzapina, kvetiapina i
mirtazapina čime se može objasniti inverzija u njihovom redosledu eluiranja. Uočeno je da
C8 stacionarna faza pogoduje razdvajanju strukturno srodnih arilpiperazina ili strukturno
srodnih derivata benzotiazepina, dok je PFP stacionarna faza pokazala uspešniju
primenljivost u razdvajanju svih ispitivanih liganada. Nešto veće vrednosti parametra
selektivnosti dobijene su na 40% udelu acetonitrila u mobilnoj fazi. U daljoj optimizaciji
hromatografskih uslova razdvajanja ispitivanih liganada, stacionarna faza sa vezanim PFP
grupama se može uspešno primeniti.",
publisher = "Savez farmaceutskih udruženja Srbije (SFUS)",
journal = "Arhiv za farmaciju",
title = "Optimization of reversed-phase conditions for separation of serotonin receptor ligands in liquid chromatography, Ptimizacija reverzno‐faznih uslova za razdvajanje liganada serotoninskih receptora u tečnoj hromatografiji",
volume = "72",
number = "4 suplement",
pages = "S548-S549",
url = "https://hdl.handle.net/21.15107/rcub_farfar_4605"
}

Obradović, D., Savić, J., Joksimović, J., Marković, B.,& Vujić, Z.. (2022). Optimization of reversed-phase conditions for separation of serotonin receptor ligands in liquid chromatography. in Arhiv za farmaciju
Savez farmaceutskih udruženja Srbije (SFUS)., 72(4 suplement), S548-S549.
https://hdl.handle.net/21.15107/rcub_farfar_4605

Obradović D, Savić J, Joksimović J, Marković B, Vujić Z. Optimization of reversed-phase conditions for separation of serotonin receptor ligands in liquid chromatography. in Arhiv za farmaciju. 2022;72(4 suplement):S548-S549.
https://hdl.handle.net/21.15107/rcub_farfar_4605 .

Obradović, Darija, Savić, Jelena, Joksimović, Jovana, Marković, Bojan, Vujić, Zorica, "Optimization of reversed-phase conditions for separation of serotonin receptor ligands in liquid chromatography" in Arhiv za farmaciju, 72, no. 4 suplement (2022):S548-S549,
https://hdl.handle.net/21.15107/rcub_farfar_4605 .

TY  - CONF
AU  - Nedeljković, Nikola
AU  - Dobričić, Vladimir
AU  - Mijajlović, Marina
AU  - Radić, Gordana
AU  - Nikolić, Miloš
AU  - Stanković, Ana
AU  - Vujić, Zorica
PY  - 2021
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5474
AB  - Masking the carboxyl group of naproxen with other functional groups may be a
promising strategy to decrease its gastrointestinal toxicity. Thiourea moiety has been described
as an important pharmacophore in a variety of pharmacologically active compounds, including
anti-inflammatory, antiviral, anticancer, hypoglycemic and antimicrobial agents. Our research
group has previously designed twenty novel thiourea derivatives of naproxen, containing amino
acids (glycine, L-alanine, β-alanine, L-valine and L-phenylalanine - compounds 1,2,3,4 and 5,
respectively), their methyl (6-10) and ethyl esters (11-15), as well as aromatic amines (16-20).
Pharmacokinetic properties and druglikeness of these compounds were predicted using
SwissADME web tool (http://www.swissadme.ch/). Predicted pharmacokinetic properties
include potential for gastrointestinal absorption, blood-brain barrier permeability, skin
permeability, transport mediated by P-glycoproteins and enzyme inhibitory potential.
Druglikeness was evaluated using Lipinski’s, Ghose’s, Veber’s, Egan’s and Muegge’s rules, as
well as on the basis of bioavailability score. All tested compounds had high-predicted
gastrointestinal absorption and low blood-brain barrier permeability. Also, derivatives 2, 4, 7,
9, 10, 12, 14, 15 and 18 were predicted to be substrates for P-glycoprotein. Derivatives with
aromatic amines (16-20) showed inhibitory potential against all tested CYP isoforms.
Derivative 19 had the highest, while derivative 13 demonstrated the lowest predicted skin
permeability. Finally, derivatives 1-12, except 5 and 10, have druglike structures, since they
obey to all imposed rules.
PB  - Institute for Information Technologies, University of Kragujevac, Serbia
C3  - 1st International Conference on Chemo and BioInformatics ICCBIKG 2021, October 26 - 27th, 2021, Kragujevac, Serbia, Book of Proceedings
T1  - In silico prediction of pharmacokinetic properties and druglikeness of novel thiourea derivatives of naproxen
SP  - 371
EP  - 374
DO  - 10.46793/ICCBI21.371N
ER  - 

@conference{
author = "Nedeljković, Nikola and Dobričić, Vladimir and Mijajlović, Marina and Radić, Gordana and Nikolić, Miloš and Stanković, Ana and Vujić, Zorica",
year = "2021",
abstract = "Masking the carboxyl group of naproxen with other functional groups may be a
promising strategy to decrease its gastrointestinal toxicity. Thiourea moiety has been described
as an important pharmacophore in a variety of pharmacologically active compounds, including
anti-inflammatory, antiviral, anticancer, hypoglycemic and antimicrobial agents. Our research
group has previously designed twenty novel thiourea derivatives of naproxen, containing amino
acids (glycine, L-alanine, β-alanine, L-valine and L-phenylalanine - compounds 1,2,3,4 and 5,
respectively), their methyl (6-10) and ethyl esters (11-15), as well as aromatic amines (16-20).
Pharmacokinetic properties and druglikeness of these compounds were predicted using
SwissADME web tool (http://www.swissadme.ch/). Predicted pharmacokinetic properties
include potential for gastrointestinal absorption, blood-brain barrier permeability, skin
permeability, transport mediated by P-glycoproteins and enzyme inhibitory potential.
Druglikeness was evaluated using Lipinski’s, Ghose’s, Veber’s, Egan’s and Muegge’s rules, as
well as on the basis of bioavailability score. All tested compounds had high-predicted
gastrointestinal absorption and low blood-brain barrier permeability. Also, derivatives 2, 4, 7,
9, 10, 12, 14, 15 and 18 were predicted to be substrates for P-glycoprotein. Derivatives with
aromatic amines (16-20) showed inhibitory potential against all tested CYP isoforms.
Derivative 19 had the highest, while derivative 13 demonstrated the lowest predicted skin
permeability. Finally, derivatives 1-12, except 5 and 10, have druglike structures, since they
obey to all imposed rules.",
publisher = "Institute for Information Technologies, University of Kragujevac, Serbia",
journal = "1st International Conference on Chemo and BioInformatics ICCBIKG 2021, October 26 - 27th, 2021, Kragujevac, Serbia, Book of Proceedings",
title = "In silico prediction of pharmacokinetic properties and druglikeness of novel thiourea derivatives of naproxen",
pages = "371-374",
doi = "10.46793/ICCBI21.371N"
}

Nedeljković, N., Dobričić, V., Mijajlović, M., Radić, G., Nikolić, M., Stanković, A.,& Vujić, Z.. (2021). In silico prediction of pharmacokinetic properties and druglikeness of novel thiourea derivatives of naproxen. in 1st International Conference on Chemo and BioInformatics ICCBIKG 2021, October 26 - 27th, 2021, Kragujevac, Serbia, Book of Proceedings
Institute for Information Technologies, University of Kragujevac, Serbia., 371-374.
https://doi.org/10.46793/ICCBI21.371N

Nedeljković N, Dobričić V, Mijajlović M, Radić G, Nikolić M, Stanković A, Vujić Z. In silico prediction of pharmacokinetic properties and druglikeness of novel thiourea derivatives of naproxen. in 1st International Conference on Chemo and BioInformatics ICCBIKG 2021, October 26 - 27th, 2021, Kragujevac, Serbia, Book of Proceedings. 2021;:371-374.
doi:10.46793/ICCBI21.371N .

Nedeljković, Nikola, Dobričić, Vladimir, Mijajlović, Marina, Radić, Gordana, Nikolić, Miloš, Stanković, Ana, Vujić, Zorica, "In silico prediction of pharmacokinetic properties and druglikeness of novel thiourea derivatives of naproxen" in 1st International Conference on Chemo and BioInformatics ICCBIKG 2021, October 26 - 27th, 2021, Kragujevac, Serbia, Book of Proceedings (2021):371-374,
https://doi.org/10.46793/ICCBI21.371N . .

TY  - JOUR
AU  - Ružić, Dušan
AU  - Đoković, Nemanja
AU  - Nikolić, Katarina
AU  - Vujić, Zorica
PY  - 2021
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3856
AB  - Today, we are witnessing an explosion of scientific concepts in cancer chemotherapy. It has been considered for a long time that genetic instability in cancer should be treated with drugs that directly damage the DNA. Understanding the molecular basis of malignant diseases shed light on studying phenotypic plasticity. In the era of epigenetics, many efforts are being made to alter the aberrant homeostasis in cancer without modifying the DNA sequence. One such strategy is modulation of the lysine acetylome in human cancers. To remove the acetyl group from the histones, cells use the enzymes that are called histone deacetylases (HDACs). The disturbed equilibrium  between  acetylation  and  deacetylation  on  lysine  residues  of  histones  can  be manipulated with histone deacetylase inhibitors (HDACi).  Throughout the review, an effort will be made to present the mechanistic basis of targeting the HDAC isoforms, discovered selective HDAC inhibitors, and their therapeutical implications and expectations in modern drug discovery.
AB  - Savremena hemoterapija kancera se bazira na velikom broju različitih naučnih pristupa. Dugo se smatralo da bi genetsku nestabilnost u kancerskim oboljenjima trebalo lečiti agensima koji direktno oštećuju DNK. Razumevanje molekularnih osnova malignih oboljenja rasvetlilo je značaj fenotipske plastičnosti. U eri epigenetike, učinjeni su mnogi napori da se izmeni aberantna homeostaza u kancerskom oboljenju bez modifikovanja sekvence DNK. Jedna od takvih strategija je modulacija lizinskog acetiloma u humanim kancerima. Da bi se acetil grupa uklonila sa histona, ćelije koriste enzime histon deacetilaze. Poremećena ravnoteža acetilacije i deacetilacije na lizinskim ostacima histona može biti regulisana inhibitorima histon deacetilaza. Kroz ovaj pregledni rad, biće prikazani mehanizmi inhibicije izoformi histon deacetilaza, različiti inhibitori histon deacetilaza, kao i njihove terapijske primene i očekivanja u modernom razvoju lekova.
PB  - Beograd : Savez farmaceutskih udruženja Srbije
T2  - Arhiv za farmaciju
T1  - Medicinal chemistry of histone deacetylase inhibitors
T1  - Medicinska hemija inhibitora histon deacetilaza
VL  - 71
IS  - 2
SP  - 73
EP  - 100
DO  - 10.5937/arhfarm71-30618
ER  - 

@article{
author = "Ružić, Dušan and Đoković, Nemanja and Nikolić, Katarina and Vujić, Zorica",
year = "2021",
abstract = "Today, we are witnessing an explosion of scientific concepts in cancer chemotherapy. It has been considered for a long time that genetic instability in cancer should be treated with drugs that directly damage the DNA. Understanding the molecular basis of malignant diseases shed light on studying phenotypic plasticity. In the era of epigenetics, many efforts are being made to alter the aberrant homeostasis in cancer without modifying the DNA sequence. One such strategy is modulation of the lysine acetylome in human cancers. To remove the acetyl group from the histones, cells use the enzymes that are called histone deacetylases (HDACs). The disturbed equilibrium  between  acetylation  and  deacetylation  on  lysine  residues  of  histones  can  be manipulated with histone deacetylase inhibitors (HDACi).  Throughout the review, an effort will be made to present the mechanistic basis of targeting the HDAC isoforms, discovered selective HDAC inhibitors, and their therapeutical implications and expectations in modern drug discovery., Savremena hemoterapija kancera se bazira na velikom broju različitih naučnih pristupa. Dugo se smatralo da bi genetsku nestabilnost u kancerskim oboljenjima trebalo lečiti agensima koji direktno oštećuju DNK. Razumevanje molekularnih osnova malignih oboljenja rasvetlilo je značaj fenotipske plastičnosti. U eri epigenetike, učinjeni su mnogi napori da se izmeni aberantna homeostaza u kancerskom oboljenju bez modifikovanja sekvence DNK. Jedna od takvih strategija je modulacija lizinskog acetiloma u humanim kancerima. Da bi se acetil grupa uklonila sa histona, ćelije koriste enzime histon deacetilaze. Poremećena ravnoteža acetilacije i deacetilacije na lizinskim ostacima histona može biti regulisana inhibitorima histon deacetilaza. Kroz ovaj pregledni rad, biće prikazani mehanizmi inhibicije izoformi histon deacetilaza, različiti inhibitori histon deacetilaza, kao i njihove terapijske primene i očekivanja u modernom razvoju lekova.",
publisher = "Beograd : Savez farmaceutskih udruženja Srbije",
journal = "Arhiv za farmaciju",
title = "Medicinal chemistry of histone deacetylase inhibitors, Medicinska hemija inhibitora histon deacetilaza",
volume = "71",
number = "2",
pages = "73-100",
doi = "10.5937/arhfarm71-30618"
}

Ružić, D., Đoković, N., Nikolić, K.,& Vujić, Z.. (2021). Medicinal chemistry of histone deacetylase inhibitors. in Arhiv za farmaciju
Beograd : Savez farmaceutskih udruženja Srbije., 71(2), 73-100.
https://doi.org/10.5937/arhfarm71-30618

Ružić D, Đoković N, Nikolić K, Vujić Z. Medicinal chemistry of histone deacetylase inhibitors. in Arhiv za farmaciju. 2021;71(2):73-100.
doi:10.5937/arhfarm71-30618 .

Ružić, Dušan, Đoković, Nemanja, Nikolić, Katarina, Vujić, Zorica, "Medicinal chemistry of histone deacetylase inhibitors" in Arhiv za farmaciju, 71, no. 2 (2021):73-100,
https://doi.org/10.5937/arhfarm71-30618 . .

TY  - CONF
AU  - Dobričić, Vladimir
AU  - Nedeljković, Nikola
AU  - Mijajlović, Marina
AU  - Radić, Gordana
AU  - Nikolić, Miloš
AU  - Vujić, Zorica
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5472
AB  - In the search for potent biologically active molecules, thiourea and other structure-related derivatives such as
thiosemicarbazones have attracted great attention. In the past two decades, thiourea derivatives have been recognized as
promising class of anticancer drugs due to their inhibitory activity against various targets, such as protein kinases and
topoisomerases [1,2]. In this work, molecular docking analyses were performed on 20 thiourea derivatives of naproxen,
previously designed by our group, in order to find their potential mechanisms of action. Designed derivatives contain amino
acids and aromatic amines in the side chains. Following 3D structures of selected protein kinases involved in multidrug
resistance were taken from PDB: 1M17 (EGFR), 3E87 (AKT2), 3HNG (VEGFR1) and 4JSV (mTOR). The receptor sites
were prepared using MAKE Receptor 3.2.0.2 software [3]. Ligands were prepared in OMEGA 2.5.1.4 [4,5] and
multiconformational binary files were generated. The FRED 3.2.0.2 software [6-8] was used for the analysis of binding
poses into the receptor sites. The key binding interactions were observed for derivatives 1 (with AKT2 and mTor) and 20
(with EGFR and VEGFR1). Therefore, these derivatives possess the best multitarget potential and represent potential
candidates for targeting multidrug resistant tumors (Figure 1).
PB  - COST Action 17104 (STRATAGEM)
C3  - STRATAGEM CA17104, New Diagnostic and Therapeutic Tools against Multidrug Resistant Tumors, 3rd MC meeting and 4th WGs meeting, 27 - 28. february 2020, Belgrade, Serbia
T1  - Design of novel thiourea derivatives of naproxen with potential antitumor activity
SP  - 37
EP  - 37
UR  - https://hdl.handle.net/21.15107/rcub_farfar_5472
ER  - 

@conference{
author = "Dobričić, Vladimir and Nedeljković, Nikola and Mijajlović, Marina and Radić, Gordana and Nikolić, Miloš and Vujić, Zorica",
year = "2020",
abstract = "In the search for potent biologically active molecules, thiourea and other structure-related derivatives such as
thiosemicarbazones have attracted great attention. In the past two decades, thiourea derivatives have been recognized as
promising class of anticancer drugs due to their inhibitory activity against various targets, such as protein kinases and
topoisomerases [1,2]. In this work, molecular docking analyses were performed on 20 thiourea derivatives of naproxen,
previously designed by our group, in order to find their potential mechanisms of action. Designed derivatives contain amino
acids and aromatic amines in the side chains. Following 3D structures of selected protein kinases involved in multidrug
resistance were taken from PDB: 1M17 (EGFR), 3E87 (AKT2), 3HNG (VEGFR1) and 4JSV (mTOR). The receptor sites
were prepared using MAKE Receptor 3.2.0.2 software [3]. Ligands were prepared in OMEGA 2.5.1.4 [4,5] and
multiconformational binary files were generated. The FRED 3.2.0.2 software [6-8] was used for the analysis of binding
poses into the receptor sites. The key binding interactions were observed for derivatives 1 (with AKT2 and mTor) and 20
(with EGFR and VEGFR1). Therefore, these derivatives possess the best multitarget potential and represent potential
candidates for targeting multidrug resistant tumors (Figure 1).",
publisher = "COST Action 17104 (STRATAGEM)",
journal = "STRATAGEM CA17104, New Diagnostic and Therapeutic Tools against Multidrug Resistant Tumors, 3rd MC meeting and 4th WGs meeting, 27 - 28. february 2020, Belgrade, Serbia",
title = "Design of novel thiourea derivatives of naproxen with potential antitumor activity",
pages = "37-37",
url = "https://hdl.handle.net/21.15107/rcub_farfar_5472"
}

Dobričić, V., Nedeljković, N., Mijajlović, M., Radić, G., Nikolić, M.,& Vujić, Z.. (2020). Design of novel thiourea derivatives of naproxen with potential antitumor activity. in STRATAGEM CA17104, New Diagnostic and Therapeutic Tools against Multidrug Resistant Tumors, 3rd MC meeting and 4th WGs meeting, 27 - 28. february 2020, Belgrade, Serbia
COST Action 17104 (STRATAGEM)., 37-37.
https://hdl.handle.net/21.15107/rcub_farfar_5472

Dobričić V, Nedeljković N, Mijajlović M, Radić G, Nikolić M, Vujić Z. Design of novel thiourea derivatives of naproxen with potential antitumor activity. in STRATAGEM CA17104, New Diagnostic and Therapeutic Tools against Multidrug Resistant Tumors, 3rd MC meeting and 4th WGs meeting, 27 - 28. february 2020, Belgrade, Serbia. 2020;:37-37.
https://hdl.handle.net/21.15107/rcub_farfar_5472 .

Dobričić, Vladimir, Nedeljković, Nikola, Mijajlović, Marina, Radić, Gordana, Nikolić, Miloš, Vujić, Zorica, "Design of novel thiourea derivatives of naproxen with potential antitumor activity" in STRATAGEM CA17104, New Diagnostic and Therapeutic Tools against Multidrug Resistant Tumors, 3rd MC meeting and 4th WGs meeting, 27 - 28. february 2020, Belgrade, Serbia (2020):37-37,
https://hdl.handle.net/21.15107/rcub_farfar_5472 .

TY  - JOUR
AU  - Dobričić, Vladimir
AU  - Turković, Nemanja
AU  - Ivković, Branka
AU  - Csuvik, Oszkár
AU  - Vujić, Zorica
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/5441
AB  - Retention behaviour of twenty-one chalcones synthesized in our laboratory was tested in three thin-layer chromatography (RP-TLC) systems (acetonitrile–water, ethanol–water and acetone–water) and chromatography parameters R0 M, S and C0 were calculated. The most suitable RP-TLC system (acetonitrile–water) and chromatography parameter (C0) for lipophilicity prediction of tested compounds were selected on the basis of the highest correlations with calculated logP values. In selected system, compound 12 had the highest, whereas 47 had the lowest C0 value. QSRR analysis was performed and three models representing relationships between C0 and selected molecular descriptors were created—MLR(C0), PLS(C0) and SVM(C0). Interpretation of molecular descriptors which form statistically the most reliable SVM(C0) model identified the most important structural and physico-chemical properties that influence retention behaviour of tested compounds. In addition, descriptors with the highest influence on R0
M as well as on C0 calculated in the remaining two RP-TLC systems were  dentified and interpreted.
PB  - Springer
T2  - Journal of Planar Chromatography - Modern TLC
T1  - Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods
VL  - 33
SP  - 245
EP  - 253
DO  - 10.1007/s00764-020-00029-w
ER  - 

@article{
author = "Dobričić, Vladimir and Turković, Nemanja and Ivković, Branka and Csuvik, Oszkár and Vujić, Zorica",
year = "2020",
abstract = "Retention behaviour of twenty-one chalcones synthesized in our laboratory was tested in three thin-layer chromatography (RP-TLC) systems (acetonitrile–water, ethanol–water and acetone–water) and chromatography parameters R0 M, S and C0 were calculated. The most suitable RP-TLC system (acetonitrile–water) and chromatography parameter (C0) for lipophilicity prediction of tested compounds were selected on the basis of the highest correlations with calculated logP values. In selected system, compound 12 had the highest, whereas 47 had the lowest C0 value. QSRR analysis was performed and three models representing relationships between C0 and selected molecular descriptors were created—MLR(C0), PLS(C0) and SVM(C0). Interpretation of molecular descriptors which form statistically the most reliable SVM(C0) model identified the most important structural and physico-chemical properties that influence retention behaviour of tested compounds. In addition, descriptors with the highest influence on R0
M as well as on C0 calculated in the remaining two RP-TLC systems were  dentified and interpreted.",
publisher = "Springer",
journal = "Journal of Planar Chromatography - Modern TLC",
title = "Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods",
volume = "33",
pages = "245-253",
doi = "10.1007/s00764-020-00029-w"
}

Dobričić, V., Turković, N., Ivković, B., Csuvik, O.,& Vujić, Z.. (2020). Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods. in Journal of Planar Chromatography - Modern TLC
Springer., 33, 245-253.
https://doi.org/10.1007/s00764-020-00029-w

Dobričić V, Turković N, Ivković B, Csuvik O, Vujić Z. Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods. in Journal of Planar Chromatography - Modern TLC. 2020;33:245-253.
doi:10.1007/s00764-020-00029-w .

Dobričić, Vladimir, Turković, Nemanja, Ivković, Branka, Csuvik, Oszkár, Vujić, Zorica, "Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods" in Journal of Planar Chromatography - Modern TLC, 33 (2020):245-253,
https://doi.org/10.1007/s00764-020-00029-w . .

TY  - JOUR
AU  - Petrović, Snježana
AU  - Bašić, Jasmina
AU  - Mandinić, Zoran
AU  - Božić, Dragana
AU  - Milenković, Marina
AU  - Vujić, Zorica
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3579
AB  - Introduction/Objective Biofilm and pyocyanin production are essential components of Pseudomonas aeruginosa virulence and antibiotic resistance.Our objective was to examine inhibitory effect of synthetized propafenone derivatives 3-(2-Fluoro-phenyl)-1-(2- (2-hydroxy-3-propylamino-propoxy)-phenyl)-propan-1-one hydrochloride (5OF) and3-(2-Trifluoromethyl-phenyl)-1-(2-(2-hydroxy-3-propylamino-propoxy)-phenyl)-propan-1-one hydrochloride (5CF3) on biofilm and pyocyanin in Pseudomonas aeruginosa clinical strains.Methods Effects were tested on nine clinical isolates and one control laboratory strain of P. aeruginosa. In vitro analysis of biofilm growing was performed by incubating bacteria (0.5 McFarland) with 5OF and 5CF3 (500–31.2 μg/ml) and measuring optical density (OD) at 570 nm. Bacteria in medium without com-pounds were positive control. Blank medium (an uninoculated medium without test compounds) was used as negative control. Pyocyanin production was estimated by OD at 520 nm, after bacteria incubated with 5CF3 and 5OF (250 and 500 μg/ml), treated with chloroform, and chloroform layer mixed with HCl. Results A total of 500 μg/ml of 5OF and 5CF3 completely inhibited biofilm formation in 10/10 and 4/10 strains, respectively. A total of 250 μg/ml of 5OF and 5CF3 strongly inhibited biofilm formation in 7/10 strains, while inhibition with 125 μg/ml of 5OF and 5CF3 was moderate. Lower concentrations had almost no effect on biofilm production. Pyocyanin production was reduced to less than 40% of the control value in 6/9, and less than 50% of the control in 7/9 strains with 500 μg/ml of 5OF and 5CF3, respectively. At 250 μg/ml 5OF and 5CF3, most strains had pyocyanin production above 50% of the control value.Conclusion Synthetized propafenone derivatives, 5OF and 5CF3, inhibited biofilms and pyocyanin produc-tion of Pseudomonas aeruginosa clinical strains. Presented results suggest that propafenone derivatives are potential lead-compounds for synthesis of novel antipseudomonal drugs.
AB  - Увод/Циљ Производња биофилма и пиоцијанина je важан фактор вируленције и антибиотске резистенције бактерије Pseudomonas aeruginosa. Циљ рада је био да се испита инхибиторни ефекат синте-тисаних пропафенонских деривата, 3-(2-флуоро-фенил)-1-[2-(2-хидрокси-3-пропиламино-пропокси)-фенил]-про-пан-1-он-хидрохлорид) (5OF) и 3-(2-трифлуорометилфенил)-1-[2-(2-хидрокси-3-пропиламино-пропокси)-фенил]-про-пан-1-он-хидрохлорид) (5CF3), на продукцију биофилма и пиоцијанина код клиничких изолата бактерије Pseudomonas aeruginosa.Методе Ефекат пропафенонских деривата испитан је на девет клиничких изолата и једном стандардном соју бакте-рије P. aeruginosa. Утицај на продукцију биофилма испитан је in vitro, инкубацијом бактерија (0,5 по Макфарланду) са 5OF и 5CF3 (500–31,2 μg/ml), и мерењем оптичке густине на 570 nm. Бактерије у медијуму без испитиваних једињења су биле позитивна контрола, а сам медијум негативна контро-ла. Производени пиоцијанин, који је одређиван мерењем оптичке густине на 520 nm, на коинкубације бактерија са 5CF3 или 5OF (250 и 500 μg/ml), третиран је хлороформом и мешањем хлороформског слојa са HCl.Резултати При концентрацији од 500 μg/ml 5OF је довео до потпуне инхибиције продукције биофилма код свих испи-тиваних сојева (10/10). Инхибиција биофилма са 500 μg/ml5CF3 била је потпуна код 4/10 сојева. При концентрацији 5OF и 5CF3 од 250 μg/ml продукција биофилма код већине испитаних изолата била је слаба, док је при концентрацији 125 μg/ml 5OF односно 5CF3 продукција била умерена. Ниже концентрације 5OF и 5CF3 нису имале инхибиторни ефекат на формирање биофилма. У присуству 500 μg/ml 5OF у 6/10 испитиваних сојева продукција пиоцијанина пала је на мање од 40% у односу на контролну вредност. Иста концентрација (500 μg/ml) 5CF3 снизила је продукцију пиоцијанина на мање од 50% од контроле у 7/9 сојева. При концентрацији 250 μg/ml 5OF или 5CF3 већина сојева продуковала је пиоцијанин изнад 50% у односу на позитивну контролу.Закључак Синтетисани пропафенонски деривати, 5OF и 5CF3, инхибирају продукцију биофилма и пиоцијанина код клиничких сојева бактерије Pseudomonas aeruginosa. До-бијени резултати указују на то да пропафенонски деривати представљају могућа полазна једињења за синтезу нових антипсеудомонасних агенаса.
PB  - Beograd : Srpsko lekarsko društvo
T2  - Srpski Arhiv za Celokupno Lekarstvo
T1  - Inhibitory effect of propafenone derivatives on pseudomonas aeruginosa biofilm and pyocyanin production
VL  - 148
IS  - 3-4
SP  - 196
EP  - 202
DO  - 10.2298/SARH180727102P
ER  - 

@article{
author = "Petrović, Snježana and Bašić, Jasmina and Mandinić, Zoran and Božić, Dragana and Milenković, Marina and Vujić, Zorica",
year = "2020",
abstract = "Introduction/Objective Biofilm and pyocyanin production are essential components of Pseudomonas aeruginosa virulence and antibiotic resistance.Our objective was to examine inhibitory effect of synthetized propafenone derivatives 3-(2-Fluoro-phenyl)-1-(2- (2-hydroxy-3-propylamino-propoxy)-phenyl)-propan-1-one hydrochloride (5OF) and3-(2-Trifluoromethyl-phenyl)-1-(2-(2-hydroxy-3-propylamino-propoxy)-phenyl)-propan-1-one hydrochloride (5CF3) on biofilm and pyocyanin in Pseudomonas aeruginosa clinical strains.Methods Effects were tested on nine clinical isolates and one control laboratory strain of P. aeruginosa. In vitro analysis of biofilm growing was performed by incubating bacteria (0.5 McFarland) with 5OF and 5CF3 (500–31.2 μg/ml) and measuring optical density (OD) at 570 nm. Bacteria in medium without com-pounds were positive control. Blank medium (an uninoculated medium without test compounds) was used as negative control. Pyocyanin production was estimated by OD at 520 nm, after bacteria incubated with 5CF3 and 5OF (250 and 500 μg/ml), treated with chloroform, and chloroform layer mixed with HCl. Results A total of 500 μg/ml of 5OF and 5CF3 completely inhibited biofilm formation in 10/10 and 4/10 strains, respectively. A total of 250 μg/ml of 5OF and 5CF3 strongly inhibited biofilm formation in 7/10 strains, while inhibition with 125 μg/ml of 5OF and 5CF3 was moderate. Lower concentrations had almost no effect on biofilm production. Pyocyanin production was reduced to less than 40% of the control value in 6/9, and less than 50% of the control in 7/9 strains with 500 μg/ml of 5OF and 5CF3, respectively. At 250 μg/ml 5OF and 5CF3, most strains had pyocyanin production above 50% of the control value.Conclusion Synthetized propafenone derivatives, 5OF and 5CF3, inhibited biofilms and pyocyanin produc-tion of Pseudomonas aeruginosa clinical strains. Presented results suggest that propafenone derivatives are potential lead-compounds for synthesis of novel antipseudomonal drugs., Увод/Циљ Производња биофилма и пиоцијанина je важан фактор вируленције и антибиотске резистенције бактерије Pseudomonas aeruginosa. Циљ рада је био да се испита инхибиторни ефекат синте-тисаних пропафенонских деривата, 3-(2-флуоро-фенил)-1-[2-(2-хидрокси-3-пропиламино-пропокси)-фенил]-про-пан-1-он-хидрохлорид) (5OF) и 3-(2-трифлуорометилфенил)-1-[2-(2-хидрокси-3-пропиламино-пропокси)-фенил]-про-пан-1-он-хидрохлорид) (5CF3), на продукцију биофилма и пиоцијанина код клиничких изолата бактерије Pseudomonas aeruginosa.Методе Ефекат пропафенонских деривата испитан је на девет клиничких изолата и једном стандардном соју бакте-рије P. aeruginosa. Утицај на продукцију биофилма испитан је in vitro, инкубацијом бактерија (0,5 по Макфарланду) са 5OF и 5CF3 (500–31,2 μg/ml), и мерењем оптичке густине на 570 nm. Бактерије у медијуму без испитиваних једињења су биле позитивна контрола, а сам медијум негативна контро-ла. Производени пиоцијанин, који је одређиван мерењем оптичке густине на 520 nm, на коинкубације бактерија са 5CF3 или 5OF (250 и 500 μg/ml), третиран је хлороформом и мешањем хлороформског слојa са HCl.Резултати При концентрацији од 500 μg/ml 5OF је довео до потпуне инхибиције продукције биофилма код свих испи-тиваних сојева (10/10). Инхибиција биофилма са 500 μg/ml5CF3 била је потпуна код 4/10 сојева. При концентрацији 5OF и 5CF3 од 250 μg/ml продукција биофилма код већине испитаних изолата била је слаба, док је при концентрацији 125 μg/ml 5OF односно 5CF3 продукција била умерена. Ниже концентрације 5OF и 5CF3 нису имале инхибиторни ефекат на формирање биофилма. У присуству 500 μg/ml 5OF у 6/10 испитиваних сојева продукција пиоцијанина пала је на мање од 40% у односу на контролну вредност. Иста концентрација (500 μg/ml) 5CF3 снизила је продукцију пиоцијанина на мање од 50% од контроле у 7/9 сојева. При концентрацији 250 μg/ml 5OF или 5CF3 већина сојева продуковала је пиоцијанин изнад 50% у односу на позитивну контролу.Закључак Синтетисани пропафенонски деривати, 5OF и 5CF3, инхибирају продукцију биофилма и пиоцијанина код клиничких сојева бактерије Pseudomonas aeruginosa. До-бијени резултати указују на то да пропафенонски деривати представљају могућа полазна једињења за синтезу нових антипсеудомонасних агенаса.",
publisher = "Beograd : Srpsko lekarsko društvo",
journal = "Srpski Arhiv za Celokupno Lekarstvo",
title = "Inhibitory effect of propafenone derivatives on pseudomonas aeruginosa biofilm and pyocyanin production",
volume = "148",
number = "3-4",
pages = "196-202",
doi = "10.2298/SARH180727102P"
}

Petrović, S., Bašić, J., Mandinić, Z., Božić, D., Milenković, M.,& Vujić, Z.. (2020). Inhibitory effect of propafenone derivatives on pseudomonas aeruginosa biofilm and pyocyanin production. in Srpski Arhiv za Celokupno Lekarstvo
Beograd : Srpsko lekarsko društvo., 148(3-4), 196-202.
https://doi.org/10.2298/SARH180727102P

Petrović S, Bašić J, Mandinić Z, Božić D, Milenković M, Vujić Z. Inhibitory effect of propafenone derivatives on pseudomonas aeruginosa biofilm and pyocyanin production. in Srpski Arhiv za Celokupno Lekarstvo. 2020;148(3-4):196-202.
doi:10.2298/SARH180727102P .

Petrović, Snježana, Bašić, Jasmina, Mandinić, Zoran, Božić, Dragana, Milenković, Marina, Vujić, Zorica, "Inhibitory effect of propafenone derivatives on pseudomonas aeruginosa biofilm and pyocyanin production" in Srpski Arhiv za Celokupno Lekarstvo, 148, no. 3-4 (2020):196-202,
https://doi.org/10.2298/SARH180727102P . .

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 . .

TY  - JOUR
AU  - Janković, Tamara
AU  - Turković, Nemanja
AU  - Kotur-Stevuljević, Jelena
AU  - Vujić, Zorica
AU  - Ivković, Branka
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3572
AB  - An imbalance between oxidants and antioxidants in favour of oxidants, potentially leading to damage, is termed oxidative stress. Antioxidants (AO), either enzymatic or non-enzymatic, are the ones that can reduce diverse effects of pro-oxidants such as DNA, proteins and lipids damage. Chalcones (1,3-diaryl-2-propen- 1-ones) are open chain flavonoids that are widely biosynthesized in plants. Aim of this study was to test antioxidative potency of 15 chalcones (Chs) in in vitro model in serum (native conditions), so as with exogenously induced oxidative stress. Material and methods: Oxidative stress was induced in serum samples of healthy individuals with 0.25 mmol/L terc-buthyl-hydroperoxide (TBH), and then we monitored the effects of various concentrations of chalcones on oxidative stress parameters: total antioxidative status (TAS), total oxidative status (TOS), total concentration of sulfhydryl group (SHG) and prooxidative-antioxidative balance (PAB), and calculated prooxidative score, antioxidative score, and oxy score (OS). Nonparametric repeated measures ANOVA (Friedman's test) was used for comparison of antioxidative potency of samples with 15 different chalcones, in a native state and upon TBH influence. Spearman's nonparametric correlation analysis was used for estimation of relation between different parameters. Results: Negative Oxy Score (OS) values for Chs11-15 showed significantly stronger antioxidative potency compared to other investigated chalcones (p < 0.05). Ch11, Ch13 and Ch14 remained with negative OS even after TBH addition, whereas OS of Ch12 and Ch15 became positive, with small nominal values. Samples with Ch11 and Ch13 showed significant negative correlation between TAS and TOS (p < 0.05 for both), but in Ch14 sample the negative correlation existed between TAS and PAB (p < 0.05). Conclusion: Lower value of OS (i.e. better antioxidative potency) was noticed in samples with Ch11-Ch15. Electron-donor effects of substituent groups as a structural part of these chalcones could explain its antioxidative capability. Phenolic and methyl groups are responsible for antioxidative ability enhancement of five chalcones with the best activity.
PB  - Elsevier Ireland Ltd
T2  - Chemico-Biological Interactions
T1  - Differences in antioxidant potential of chalcones in human serum: In vitro study
VL  - 324
DO  - 10.1016/j.cbi.2020.109084
ER  - 

@article{
author = "Janković, Tamara and Turković, Nemanja and Kotur-Stevuljević, Jelena and Vujić, Zorica and Ivković, Branka",
year = "2020",
abstract = "An imbalance between oxidants and antioxidants in favour of oxidants, potentially leading to damage, is termed oxidative stress. Antioxidants (AO), either enzymatic or non-enzymatic, are the ones that can reduce diverse effects of pro-oxidants such as DNA, proteins and lipids damage. Chalcones (1,3-diaryl-2-propen- 1-ones) are open chain flavonoids that are widely biosynthesized in plants. Aim of this study was to test antioxidative potency of 15 chalcones (Chs) in in vitro model in serum (native conditions), so as with exogenously induced oxidative stress. Material and methods: Oxidative stress was induced in serum samples of healthy individuals with 0.25 mmol/L terc-buthyl-hydroperoxide (TBH), and then we monitored the effects of various concentrations of chalcones on oxidative stress parameters: total antioxidative status (TAS), total oxidative status (TOS), total concentration of sulfhydryl group (SHG) and prooxidative-antioxidative balance (PAB), and calculated prooxidative score, antioxidative score, and oxy score (OS). Nonparametric repeated measures ANOVA (Friedman's test) was used for comparison of antioxidative potency of samples with 15 different chalcones, in a native state and upon TBH influence. Spearman's nonparametric correlation analysis was used for estimation of relation between different parameters. Results: Negative Oxy Score (OS) values for Chs11-15 showed significantly stronger antioxidative potency compared to other investigated chalcones (p < 0.05). Ch11, Ch13 and Ch14 remained with negative OS even after TBH addition, whereas OS of Ch12 and Ch15 became positive, with small nominal values. Samples with Ch11 and Ch13 showed significant negative correlation between TAS and TOS (p < 0.05 for both), but in Ch14 sample the negative correlation existed between TAS and PAB (p < 0.05). Conclusion: Lower value of OS (i.e. better antioxidative potency) was noticed in samples with Ch11-Ch15. Electron-donor effects of substituent groups as a structural part of these chalcones could explain its antioxidative capability. Phenolic and methyl groups are responsible for antioxidative ability enhancement of five chalcones with the best activity.",
publisher = "Elsevier Ireland Ltd",
journal = "Chemico-Biological Interactions",
title = "Differences in antioxidant potential of chalcones in human serum: In vitro study",
volume = "324",
doi = "10.1016/j.cbi.2020.109084"
}

Janković, T., Turković, N., Kotur-Stevuljević, J., Vujić, Z.,& Ivković, B.. (2020). Differences in antioxidant potential of chalcones in human serum: In vitro study. in Chemico-Biological Interactions
Elsevier Ireland Ltd., 324.
https://doi.org/10.1016/j.cbi.2020.109084

Janković T, Turković N, Kotur-Stevuljević J, Vujić Z, Ivković B. Differences in antioxidant potential of chalcones in human serum: In vitro study. in Chemico-Biological Interactions. 2020;324.
doi:10.1016/j.cbi.2020.109084 .

Janković, Tamara, Turković, Nemanja, Kotur-Stevuljević, Jelena, Vujić, Zorica, Ivković, Branka, "Differences in antioxidant potential of chalcones in human serum: In vitro study" in Chemico-Biological Interactions, 324 (2020),
https://doi.org/10.1016/j.cbi.2020.109084 . .

TY  - JOUR
AU  - Vučinić, Nikola
AU  - Tubbs, Shane
AU  - Erić, Mirela
AU  - Vujić, Zorica
AU  - Marić, Dušica
AU  - Vuković, Boris
PY  - 2020
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3607
AB  - The appearance of the face is one of the most important factors influencing our perception of beauty. However, few studies have attempted to quantitate what one perceives as beauty. Therefore, this study was conducted with the goal of providing physicians with anatomical data that demonstrate which facial traits most influence our perception of one's attractiveness. In the first phase of the study, faces of 60 participants (30 males and 30 females) were photographed. Next, the photographs were shown to another group of 120 study members (60 males and 60 females), who evaluated the facial features using a Visual Analogue Scale. The highest rated facial parts were then measured using the ImageJ program. In men, the most attractive parts of the face were Type 1:2 lips, a Type IV nose of medium width, blue eyes, brown hair, and a very narrow face. Among females, the most attractive parts of the face were Type 2:1 lips, Type III and V noses of medium width, dark brown eyes, blonde hair, and a narrow face. This is the first study in which the most aesthetically important facial parts have been comprehensively examined. The results obtained in our study show a higher degree of representativeness compared to other studies due to a different methodological approach and can be used as an aesthetic guide and can help in the planning of aesthetic surgery such as lip augmentation and rhinoplasty.
PB  - John Wiley and Sons Inc.
T2  - Clinical Anatomy
T1  - What Do We Find Attractive about the Face?: Survey Study with Application to Aesthetic Surgery
VL  - 33
IS  - 2
SP  - 214
EP  - 222
DO  - 10.1002/ca.23455
ER  - 

@article{
author = "Vučinić, Nikola and Tubbs, Shane and Erić, Mirela and Vujić, Zorica and Marić, Dušica and Vuković, Boris",
year = "2020",
abstract = "The appearance of the face is one of the most important factors influencing our perception of beauty. However, few studies have attempted to quantitate what one perceives as beauty. Therefore, this study was conducted with the goal of providing physicians with anatomical data that demonstrate which facial traits most influence our perception of one's attractiveness. In the first phase of the study, faces of 60 participants (30 males and 30 females) were photographed. Next, the photographs were shown to another group of 120 study members (60 males and 60 females), who evaluated the facial features using a Visual Analogue Scale. The highest rated facial parts were then measured using the ImageJ program. In men, the most attractive parts of the face were Type 1:2 lips, a Type IV nose of medium width, blue eyes, brown hair, and a very narrow face. Among females, the most attractive parts of the face were Type 2:1 lips, Type III and V noses of medium width, dark brown eyes, blonde hair, and a narrow face. This is the first study in which the most aesthetically important facial parts have been comprehensively examined. The results obtained in our study show a higher degree of representativeness compared to other studies due to a different methodological approach and can be used as an aesthetic guide and can help in the planning of aesthetic surgery such as lip augmentation and rhinoplasty.",
publisher = "John Wiley and Sons Inc.",
journal = "Clinical Anatomy",
title = "What Do We Find Attractive about the Face?: Survey Study with Application to Aesthetic Surgery",
volume = "33",
number = "2",
pages = "214-222",
doi = "10.1002/ca.23455"
}

Vučinić, N., Tubbs, S., Erić, M., Vujić, Z., Marić, D.,& Vuković, B.. (2020). What Do We Find Attractive about the Face?: Survey Study with Application to Aesthetic Surgery. in Clinical Anatomy
John Wiley and Sons Inc.., 33(2), 214-222.
https://doi.org/10.1002/ca.23455

Vučinić N, Tubbs S, Erić M, Vujić Z, Marić D, Vuković B. What Do We Find Attractive about the Face?: Survey Study with Application to Aesthetic Surgery. in Clinical Anatomy. 2020;33(2):214-222.
doi:10.1002/ca.23455 .

Vučinić, Nikola, Tubbs, Shane, Erić, Mirela, Vujić, Zorica, Marić, Dušica, Vuković, Boris, "What Do We Find Attractive about the Face?: Survey Study with Application to Aesthetic Surgery" in Clinical Anatomy, 33, no. 2 (2020):214-222,
https://doi.org/10.1002/ca.23455 . .

TY  - JOUR
AU  - Savić, Jelena
AU  - Dilber, Sanda
AU  - Vujić, Zorica
AU  - Vladimirov, Sote
AU  - Brborić, Jasmina
PY  - 2018
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3069
AB  - The pK(a) values of twelve beta-hydroxy-beta-arylalkanoic acids and ibuprofen were determined using a modified RP-HPLC method. The stationary phase was octadecyl modified (C-18) silica gel, and the mobile phases were mixtures of methanol and one of ten different buffers (60: 40 volume ratio). The mean retention time of each compound was plotted against the pH of each of the ten used mobile phases. The inflection point of the obtained sigmoidal curve represents the (s)(w)pK(a) of a compound. Using (s)(w)pKa in previously established equations for the specific methanol/buffer mixture, the (w)(w)pK(a) values (in pure water) were calculated. The obtained wwpKa values for the synthesized compounds were in a range from 3.40 to 3.74, and the (w)(w)pK(a) for ibuprofen was 4.27. The Predicted pK(a) values for this type of compounds in the MarvinSketch 5.11.5. Program were in poor correlation with the experimental results, while in ACD//I-Labs pK(a) values were calculated as a wide range.
PB  - Srpsko hemijsko društvo, Beograd
T2  - Journal of the Serbian Chemical Society
T1  - A modified RP-HPLC method for the determination of the pK(a) values of synthesized beta-hydroxy-beta-arylalkanoic acids
VL  - 83
IS  - 7-8
SP  - 875
EP  - 883
DO  - 10.2298/JSC170804045S
ER  - 

@article{
author = "Savić, Jelena and Dilber, Sanda and Vujić, Zorica and Vladimirov, Sote and Brborić, Jasmina",
year = "2018",
abstract = "The pK(a) values of twelve beta-hydroxy-beta-arylalkanoic acids and ibuprofen were determined using a modified RP-HPLC method. The stationary phase was octadecyl modified (C-18) silica gel, and the mobile phases were mixtures of methanol and one of ten different buffers (60: 40 volume ratio). The mean retention time of each compound was plotted against the pH of each of the ten used mobile phases. The inflection point of the obtained sigmoidal curve represents the (s)(w)pK(a) of a compound. Using (s)(w)pKa in previously established equations for the specific methanol/buffer mixture, the (w)(w)pK(a) values (in pure water) were calculated. The obtained wwpKa values for the synthesized compounds were in a range from 3.40 to 3.74, and the (w)(w)pK(a) for ibuprofen was 4.27. The Predicted pK(a) values for this type of compounds in the MarvinSketch 5.11.5. Program were in poor correlation with the experimental results, while in ACD//I-Labs pK(a) values were calculated as a wide range.",
publisher = "Srpsko hemijsko društvo, Beograd",
journal = "Journal of the Serbian Chemical Society",
title = "A modified RP-HPLC method for the determination of the pK(a) values of synthesized beta-hydroxy-beta-arylalkanoic acids",
volume = "83",
number = "7-8",
pages = "875-883",
doi = "10.2298/JSC170804045S"
}

Savić, J., Dilber, S., Vujić, Z., Vladimirov, S.,& Brborić, J.. (2018). A modified RP-HPLC method for the determination of the pK(a) values of synthesized beta-hydroxy-beta-arylalkanoic acids. in Journal of the Serbian Chemical Society
Srpsko hemijsko društvo, Beograd., 83(7-8), 875-883.
https://doi.org/10.2298/JSC170804045S

Savić J, Dilber S, Vujić Z, Vladimirov S, Brborić J. A modified RP-HPLC method for the determination of the pK(a) values of synthesized beta-hydroxy-beta-arylalkanoic acids. in Journal of the Serbian Chemical Society. 2018;83(7-8):875-883.
doi:10.2298/JSC170804045S .

Savić, Jelena, Dilber, Sanda, Vujić, Zorica, Vladimirov, Sote, Brborić, Jasmina, "A modified RP-HPLC method for the determination of the pK(a) values of synthesized beta-hydroxy-beta-arylalkanoic acids" in Journal of the Serbian Chemical Society, 83, no. 7-8 (2018):875-883,
https://doi.org/10.2298/JSC170804045S . .

TY  - JOUR
AU  - Bogavac-Stanojević, Nataša
AU  - Kotur-Stevuljević, Jelena
AU  - Cerne, Darko
AU  - Zupan, Janja
AU  - Marc, Janja
AU  - Vujić, Zorica
AU  - Crevar-Sakač, Milkica
AU  - Sopić, Miron
AU  - Munjas, Jelena
AU  - Radenković, Miroslav
AU  - Jelić-Ivanović, Zorana
PY  - 2018
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3189
AB  - Context: Polyphenols and flavonoids in artichoke leaf tincture (ALT) protect cells against oxidative damage. Objectives: We examined ALT effects on deoxyribonucleic acid (DNA) damage and lipid profiles in rat plasma and gene expression in rat aorta [haemeoxygenase-1 (HO1), haemeoxygenase-2 (HO2), NADPH oxidase 4 (NOX-4), monocyte chemoattractant protein-1 (MCP-1) and nuclear factor (erythroid-derived 2)-like 2 (Nrf2)]. Materials and methods: Eighteen male Wistar albino rats were divided into three groups (n=6/group): The control group (CG) was fed with standard pellet chow for 11 weeks; the AD group was fed for a similar period of time with pellet chow supplemented with 2% cholesterol, 3% sunflower oil and 1% sodium cholate. The ADA group was fed with pellet chow (for 1 week), the atherogenic diet (see above) for the following 4 weeks and then with ALT (0.1 mL/kg body weight) and atherogenic diet for 6 weeks. According to HPLC analysis, the isolated main compounds in ALT were chlorogenic acid, caffeic acid, isoquercitrin and rutin. Results: Normalized HO-1 [0.11 (0.04-0.24)] and MCP-1 [0.29 (0.21-0.47)] mRNA levels and DNA scores [12.50 (4.50-36.50)] were significantly lower in the ADA group than in the AD group [0.84 (0.35-2.51)], p = 0.021 for HO-1 [0.85 (0.61-3.45)], p = 0.047 for MCP-1 and [176.5 (66.50-221.25)], p = 0.020 for DNA scores. HO-1 mRNA was lower in the ADA group than in the CG group [0.30 (0.21-0.71), p = 0.049]. Conclusions: Supplementation with ALT limited the effects of the atherogenic diet through reduced MCP-1 expression, thereby preventing oxidative damage.
PB  - Taylor & Francis Ltd, Abingdon
T2  - Pharmaceutical Biology
T1  - The role of artichoke leaf tincture (Cynara scolymus) in the suppression of DNA damage and atherosclerosis in rats fed an atherogenic diet
VL  - 56
IS  - 1
SP  - 138
EP  - 144
DO  - 10.1080/13880209.2018.1434549
ER  - 

@article{
author = "Bogavac-Stanojević, Nataša and Kotur-Stevuljević, Jelena and Cerne, Darko and Zupan, Janja and Marc, Janja and Vujić, Zorica and Crevar-Sakač, Milkica and Sopić, Miron and Munjas, Jelena and Radenković, Miroslav and Jelić-Ivanović, Zorana",
year = "2018",
abstract = "Context: Polyphenols and flavonoids in artichoke leaf tincture (ALT) protect cells against oxidative damage. Objectives: We examined ALT effects on deoxyribonucleic acid (DNA) damage and lipid profiles in rat plasma and gene expression in rat aorta [haemeoxygenase-1 (HO1), haemeoxygenase-2 (HO2), NADPH oxidase 4 (NOX-4), monocyte chemoattractant protein-1 (MCP-1) and nuclear factor (erythroid-derived 2)-like 2 (Nrf2)]. Materials and methods: Eighteen male Wistar albino rats were divided into three groups (n=6/group): The control group (CG) was fed with standard pellet chow for 11 weeks; the AD group was fed for a similar period of time with pellet chow supplemented with 2% cholesterol, 3% sunflower oil and 1% sodium cholate. The ADA group was fed with pellet chow (for 1 week), the atherogenic diet (see above) for the following 4 weeks and then with ALT (0.1 mL/kg body weight) and atherogenic diet for 6 weeks. According to HPLC analysis, the isolated main compounds in ALT were chlorogenic acid, caffeic acid, isoquercitrin and rutin. Results: Normalized HO-1 [0.11 (0.04-0.24)] and MCP-1 [0.29 (0.21-0.47)] mRNA levels and DNA scores [12.50 (4.50-36.50)] were significantly lower in the ADA group than in the AD group [0.84 (0.35-2.51)], p = 0.021 for HO-1 [0.85 (0.61-3.45)], p = 0.047 for MCP-1 and [176.5 (66.50-221.25)], p = 0.020 for DNA scores. HO-1 mRNA was lower in the ADA group than in the CG group [0.30 (0.21-0.71), p = 0.049]. Conclusions: Supplementation with ALT limited the effects of the atherogenic diet through reduced MCP-1 expression, thereby preventing oxidative damage.",
publisher = "Taylor & Francis Ltd, Abingdon",
journal = "Pharmaceutical Biology",
title = "The role of artichoke leaf tincture (Cynara scolymus) in the suppression of DNA damage and atherosclerosis in rats fed an atherogenic diet",
volume = "56",
number = "1",
pages = "138-144",
doi = "10.1080/13880209.2018.1434549"
}

Bogavac-Stanojević, N., Kotur-Stevuljević, J., Cerne, D., Zupan, J., Marc, J., Vujić, Z., Crevar-Sakač, M., Sopić, M., Munjas, J., Radenković, M.,& Jelić-Ivanović, Z.. (2018). The role of artichoke leaf tincture (Cynara scolymus) in the suppression of DNA damage and atherosclerosis in rats fed an atherogenic diet. in Pharmaceutical Biology
Taylor & Francis Ltd, Abingdon., 56(1), 138-144.
https://doi.org/10.1080/13880209.2018.1434549

Bogavac-Stanojević N, Kotur-Stevuljević J, Cerne D, Zupan J, Marc J, Vujić Z, Crevar-Sakač M, Sopić M, Munjas J, Radenković M, Jelić-Ivanović Z. The role of artichoke leaf tincture (Cynara scolymus) in the suppression of DNA damage and atherosclerosis in rats fed an atherogenic diet. in Pharmaceutical Biology. 2018;56(1):138-144.
doi:10.1080/13880209.2018.1434549 .

Bogavac-Stanojević, Nataša, Kotur-Stevuljević, Jelena, Cerne, Darko, Zupan, Janja, Marc, Janja, Vujić, Zorica, Crevar-Sakač, Milkica, Sopić, Miron, Munjas, Jelena, Radenković, Miroslav, Jelić-Ivanović, Zorana, "The role of artichoke leaf tincture (Cynara scolymus) in the suppression of DNA damage and atherosclerosis in rats fed an atherogenic diet" in Pharmaceutical Biology, 56, no. 1 (2018):138-144,
https://doi.org/10.1080/13880209.2018.1434549 . .

TY  - JOUR
AU  - Ninić, Ana
AU  - Spasojević-Kalimanovska, Vesna
AU  - Sopić, Miron
AU  - Munjas, Jelena
AU  - Bogavac-Stanojević, Nataša
AU  - Jelić-Ivanović, Zorana
AU  - Kotur-Stevuljević, Jelena
AU  - Spasić, Slavica
AU  - Crevar-Sakač, Milkica
AU  - Milenković, Marina
AU  - Vujić, Zorica
PY  - 2018
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3054
AB  - Paraoxonases isoenzymes, PON1, PON2 and PON3, have important antioxidative and anti-inflammatory properties in blood and cells. They prevent oxidation of low and high density lipoprotein particles, foam cells formation and development of atherosclerosis. The authors investigated effects of high fat diet and atorvastatin therapy on paraoxonases gene expression levels and distribution in different rat organs. Liver, white adipose tissue (WAT) and aorta were taken from young male Wistar rats that were fed with normal diet (ND), atherogenic diet (AD) and atherogenic diet with 1.14 mg of atorvastatin per kg (ADA). Messenger RNA (mRNA) relative levels of paraoxonase 1 (PON1), paraoxonase 2 (PON2) and paraoxonase 3 (PON3) were measured in rat organs using real-time polymerase chain reaction (PCR). PON1 mRNA expression levels were down-regulated in ADA compared to AD group. ND group had significantly lower PON2 mRNA expression than AD group. PON1 mRNA expression levels were higher in liver than in aorta in group of rats on ND, AD and ADA. PON2 mRNA expression was higher in WAT than in aorta only in ADA group of rats. PON2 and PON3 were significantly higher than PON1 in aorta of rats on each ND, AD or ADA.
PB  - Natl Inst Science Communication-Niscair, New Delhi
T2  - Indian Journal of Biotechnology
T1  - Paraoxonases gene expression and distribution in rats organs treated with atherogenic diet and atorvastatin therapy
VL  - 17
IS  - 2
SP  - 217
EP  - 223
UR  - https://hdl.handle.net/21.15107/rcub_farfar_3054
ER  - 

@article{
author = "Ninić, Ana and Spasojević-Kalimanovska, Vesna and Sopić, Miron and Munjas, Jelena and Bogavac-Stanojević, Nataša and Jelić-Ivanović, Zorana and Kotur-Stevuljević, Jelena and Spasić, Slavica and Crevar-Sakač, Milkica and Milenković, Marina and Vujić, Zorica",
year = "2018",
abstract = "Paraoxonases isoenzymes, PON1, PON2 and PON3, have important antioxidative and anti-inflammatory properties in blood and cells. They prevent oxidation of low and high density lipoprotein particles, foam cells formation and development of atherosclerosis. The authors investigated effects of high fat diet and atorvastatin therapy on paraoxonases gene expression levels and distribution in different rat organs. Liver, white adipose tissue (WAT) and aorta were taken from young male Wistar rats that were fed with normal diet (ND), atherogenic diet (AD) and atherogenic diet with 1.14 mg of atorvastatin per kg (ADA). Messenger RNA (mRNA) relative levels of paraoxonase 1 (PON1), paraoxonase 2 (PON2) and paraoxonase 3 (PON3) were measured in rat organs using real-time polymerase chain reaction (PCR). PON1 mRNA expression levels were down-regulated in ADA compared to AD group. ND group had significantly lower PON2 mRNA expression than AD group. PON1 mRNA expression levels were higher in liver than in aorta in group of rats on ND, AD and ADA. PON2 mRNA expression was higher in WAT than in aorta only in ADA group of rats. PON2 and PON3 were significantly higher than PON1 in aorta of rats on each ND, AD or ADA.",
publisher = "Natl Inst Science Communication-Niscair, New Delhi",
journal = "Indian Journal of Biotechnology",
title = "Paraoxonases gene expression and distribution in rats organs treated with atherogenic diet and atorvastatin therapy",
volume = "17",
number = "2",
pages = "217-223",
url = "https://hdl.handle.net/21.15107/rcub_farfar_3054"
}

Ninić, A., Spasojević-Kalimanovska, V., Sopić, M., Munjas, J., Bogavac-Stanojević, N., Jelić-Ivanović, Z., Kotur-Stevuljević, J., Spasić, S., Crevar-Sakač, M., Milenković, M.,& Vujić, Z.. (2018). Paraoxonases gene expression and distribution in rats organs treated with atherogenic diet and atorvastatin therapy. in Indian Journal of Biotechnology
Natl Inst Science Communication-Niscair, New Delhi., 17(2), 217-223.
https://hdl.handle.net/21.15107/rcub_farfar_3054

Ninić A, Spasojević-Kalimanovska V, Sopić M, Munjas J, Bogavac-Stanojević N, Jelić-Ivanović Z, Kotur-Stevuljević J, Spasić S, Crevar-Sakač M, Milenković M, Vujić Z. Paraoxonases gene expression and distribution in rats organs treated with atherogenic diet and atorvastatin therapy. in Indian Journal of Biotechnology. 2018;17(2):217-223.
https://hdl.handle.net/21.15107/rcub_farfar_3054 .

Ninić, Ana, Spasojević-Kalimanovska, Vesna, Sopić, Miron, Munjas, Jelena, Bogavac-Stanojević, Nataša, Jelić-Ivanović, Zorana, Kotur-Stevuljević, Jelena, Spasić, Slavica, Crevar-Sakač, Milkica, Milenković, Marina, Vujić, Zorica, "Paraoxonases gene expression and distribution in rats organs treated with atherogenic diet and atorvastatin therapy" in Indian Journal of Biotechnology, 17, no. 2 (2018):217-223,
https://hdl.handle.net/21.15107/rcub_farfar_3054 .