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  - Janićijević, Željko
AU  - Stanković, Ana
AU  - Žegura, Bojana
AU  - Veljović, Đorđe
AU  - Đekić, Ljiljana
AU  - Krajišnik, Danina
AU  - Filipič, Metka
AU  - Stevanović, Magdalena
PY  - 2021
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/3947
AB  - We report an innovative low-cost wet  precipitation  synthesis  method  for  gelatin-modified   zinc oxide nanoparticles (GM ZnO NPs) at the inter- face  between  the  gelatin  hydrogel  and  aqueous  elec- trolyte.  Diffusion  of  ammonia  through  the  hydrogel   matrices with different gelatin contents induced pre- cipitation  of  the  product  in  contact  with  the  surface   of  the  aqueous  solution  of  zinc  ions.  The  obtained   precipitate  was  subjected  to  thermal  treatment  to  partially  decompose  the  adsorbed  gelatin  in  the  NP   structure. Physicochemical properties of obtained  GM  ZnO  NPs  were  characterized  by  X-ray  powder   diffraction (XRD), scanning electron microscopy  (SEM), Fourier transform infrared spectroscopy  (FTIR), differential thermal analysis (DTA), thermo- gravimetry (TG), photon correlation spectroscopy  (PCS),  zeta  potential  measurements,  and  inductively   coupled  plasma-mass  spectrometry  (ICP-MS).  The   estimated mean crystallite size of GM ZnO NP pow- ders was in the range from 5.8 to 12.1 nm. The syn- thesized  NPs  exhibited  nanosheet  morphology  and   arranged into flake-like aggregates. The toxic poten- tial was investigated in vitro in human hepatocellular  carcinoma cell line HepG2. The thiazolyl blue tetra- zolium bromide (MTS) assay was used to assess cell  viability,  2′,7′-dichlor-fluorescein-diacetate  (DCFH- DA)  assay  to  examine  the  formation  of  intracellu- lar  reactive  oxygen  species  (ROS),  and  comet  assay   to  evaluate  the  genotoxic  response.  GM  ZnO  NPs   slightly reduced HepG2 cell viability, did not induce  ROS formation, and showed low genotoxic potential  at  very  high  doses  (100  μg    mL−1).  ZnO  NPs  fabri- cated  and  modified  using  the  proposed  methodol- ogy deserve further study as potential candidates for  antibacterial agents or dietary supplements with low  overall toxicity.
PB  - Springer Science and Business Media B.V.
T2  - Journal of Nanoparticle Research
T1  - Safe-by-design gelatin-modified zinc oxide nanoparticles
VL  - 23
IS  - 9
DO  - 10.1007/s11051-021-05312-3
ER  - 

@article{
author = "Janićijević, Željko and Stanković, Ana and Žegura, Bojana and Veljović, Đorđe and Đekić, Ljiljana and Krajišnik, Danina and Filipič, Metka and Stevanović, Magdalena",
year = "2021",
abstract = "We report an innovative low-cost wet  precipitation  synthesis  method  for  gelatin-modified   zinc oxide nanoparticles (GM ZnO NPs) at the inter- face  between  the  gelatin  hydrogel  and  aqueous  elec- trolyte.  Diffusion  of  ammonia  through  the  hydrogel   matrices with different gelatin contents induced pre- cipitation  of  the  product  in  contact  with  the  surface   of  the  aqueous  solution  of  zinc  ions.  The  obtained   precipitate  was  subjected  to  thermal  treatment  to  partially  decompose  the  adsorbed  gelatin  in  the  NP   structure. Physicochemical properties of obtained  GM  ZnO  NPs  were  characterized  by  X-ray  powder   diffraction (XRD), scanning electron microscopy  (SEM), Fourier transform infrared spectroscopy  (FTIR), differential thermal analysis (DTA), thermo- gravimetry (TG), photon correlation spectroscopy  (PCS),  zeta  potential  measurements,  and  inductively   coupled  plasma-mass  spectrometry  (ICP-MS).  The   estimated mean crystallite size of GM ZnO NP pow- ders was in the range from 5.8 to 12.1 nm. The syn- thesized  NPs  exhibited  nanosheet  morphology  and   arranged into flake-like aggregates. The toxic poten- tial was investigated in vitro in human hepatocellular  carcinoma cell line HepG2. The thiazolyl blue tetra- zolium bromide (MTS) assay was used to assess cell  viability,  2′,7′-dichlor-fluorescein-diacetate  (DCFH- DA)  assay  to  examine  the  formation  of  intracellu- lar  reactive  oxygen  species  (ROS),  and  comet  assay   to  evaluate  the  genotoxic  response.  GM  ZnO  NPs   slightly reduced HepG2 cell viability, did not induce  ROS formation, and showed low genotoxic potential  at  very  high  doses  (100  μg    mL−1).  ZnO  NPs  fabri- cated  and  modified  using  the  proposed  methodol- ogy deserve further study as potential candidates for  antibacterial agents or dietary supplements with low  overall toxicity.",
publisher = "Springer Science and Business Media B.V.",
journal = "Journal of Nanoparticle Research",
title = "Safe-by-design gelatin-modified zinc oxide nanoparticles",
volume = "23",
number = "9",
doi = "10.1007/s11051-021-05312-3"
}

Janićijević, Ž., Stanković, A., Žegura, B., Veljović, Đ., Đekić, L., Krajišnik, D., Filipič, M.,& Stevanović, M.. (2021). Safe-by-design gelatin-modified zinc oxide nanoparticles. in Journal of Nanoparticle Research
Springer Science and Business Media B.V.., 23(9).
https://doi.org/10.1007/s11051-021-05312-3

Janićijević Ž, Stanković A, Žegura B, Veljović Đ, Đekić L, Krajišnik D, Filipič M, Stevanović M. Safe-by-design gelatin-modified zinc oxide nanoparticles. in Journal of Nanoparticle Research. 2021;23(9).
doi:10.1007/s11051-021-05312-3 .

Janićijević, Željko, Stanković, Ana, Žegura, Bojana, Veljović, Đorđe, Đekić, Ljiljana, Krajišnik, Danina, Filipič, Metka, Stevanović, Magdalena, "Safe-by-design gelatin-modified zinc oxide nanoparticles" in Journal of Nanoparticle Research, 23, no. 9 (2021),
https://doi.org/10.1007/s11051-021-05312-3 . .

TY  - JOUR
AU  - Stanković, Ana
AU  - Sezen, Meltem
AU  - Milenković, Marina
AU  - Kaisarević, Sonja
AU  - Andrić, Nebojša
AU  - Stevanović, Magdalena
PY  - 2016
UR  - https://farfar.pharmacy.bg.ac.rs/handle/123456789/2673
AB  - Copolymer poly (DL-lactide-co-glycolide) (PLGA) is extensively investigated for various biomedical applications such as controlled drug delivery or carriers in the tissue engineering. In addition, zinc oxide (ZnO) is widely used in biomedicine especially for materials like dental composites, as a constituent of creams for the treatment of a variety of skin irritations, to enhance the antibacterial activity of different medicaments and so on. Uniform, spherical ZnO nanoparticles (nano-ZnO) have been synthesized via microwave synthesis method. In addition to obtaining nano-ZnO, a further aim was to examine their immobilization in the PLGA polymer matrix (PLGA/nano-ZnO) and this was done by a simple physicochemical solvent/nonsolvent method. The samples were characterized by X-ray diffraction, scanning electron microscopy, laser diffraction particle size analyzer, differential thermal analysis, and thermal gravimetric analysis. The synthesized PLGA/nano-ZnO particles are spherical, uniform, and with diameters below 1 mu m. The influence of the different solvents and the drying methods during the synthesis was investigated too. The biocompatibility of the samples is discussed in terms of in vitro toxicity on human hepatoma HepG2 cells by application of MTT assay and the antimicrobial activity was evaluated by broth microdilution method against different groups of microorganisms (Gram-positive bacteria, Gram-negative bacteria, and yeast Candida albicans).
PB  - Hindawi Ltd, London
T2  - Journal of Nanomaterials
T1  - PLGA/Nano-ZnO Composite Particles for Use in Biomedical Applications: Preparation, Characterization, and Antimicrobial Activity
DO  - 10.1155/2016/9425289
ER  - 

@article{
author = "Stanković, Ana and Sezen, Meltem and Milenković, Marina and Kaisarević, Sonja and Andrić, Nebojša and Stevanović, Magdalena",
year = "2016",
abstract = "Copolymer poly (DL-lactide-co-glycolide) (PLGA) is extensively investigated for various biomedical applications such as controlled drug delivery or carriers in the tissue engineering. In addition, zinc oxide (ZnO) is widely used in biomedicine especially for materials like dental composites, as a constituent of creams for the treatment of a variety of skin irritations, to enhance the antibacterial activity of different medicaments and so on. Uniform, spherical ZnO nanoparticles (nano-ZnO) have been synthesized via microwave synthesis method. In addition to obtaining nano-ZnO, a further aim was to examine their immobilization in the PLGA polymer matrix (PLGA/nano-ZnO) and this was done by a simple physicochemical solvent/nonsolvent method. The samples were characterized by X-ray diffraction, scanning electron microscopy, laser diffraction particle size analyzer, differential thermal analysis, and thermal gravimetric analysis. The synthesized PLGA/nano-ZnO particles are spherical, uniform, and with diameters below 1 mu m. The influence of the different solvents and the drying methods during the synthesis was investigated too. The biocompatibility of the samples is discussed in terms of in vitro toxicity on human hepatoma HepG2 cells by application of MTT assay and the antimicrobial activity was evaluated by broth microdilution method against different groups of microorganisms (Gram-positive bacteria, Gram-negative bacteria, and yeast Candida albicans).",
publisher = "Hindawi Ltd, London",
journal = "Journal of Nanomaterials",
title = "PLGA/Nano-ZnO Composite Particles for Use in Biomedical Applications: Preparation, Characterization, and Antimicrobial Activity",
doi = "10.1155/2016/9425289"
}

Stanković, A., Sezen, M., Milenković, M., Kaisarević, S., Andrić, N.,& Stevanović, M.. (2016). PLGA/Nano-ZnO Composite Particles for Use in Biomedical Applications: Preparation, Characterization, and Antimicrobial Activity. in Journal of Nanomaterials
Hindawi Ltd, London..
https://doi.org/10.1155/2016/9425289

Stanković A, Sezen M, Milenković M, Kaisarević S, Andrić N, Stevanović M. PLGA/Nano-ZnO Composite Particles for Use in Biomedical Applications: Preparation, Characterization, and Antimicrobial Activity. in Journal of Nanomaterials. 2016;.
doi:10.1155/2016/9425289 .

Stanković, Ana, Sezen, Meltem, Milenković, Marina, Kaisarević, Sonja, Andrić, Nebojša, Stevanović, Magdalena, "PLGA/Nano-ZnO Composite Particles for Use in Biomedical Applications: Preparation, Characterization, and Antimicrobial Activity" in Journal of Nanomaterials (2016),
https://doi.org/10.1155/2016/9425289 . .