TY  - JOUR
AU  - Vidović, Dunja
AU  - Milošević, Nataša
AU  - Pavlović, Nebojša
AU  - Todorović, Nemanja
AU  - Čanji Panić, Jelena
AU  - Kovačević, Strahinja
AU  - Karadžić Banjac, Milica
AU  - Podunavac-Kuzmanović, Sanja
AU  - Banjac, Nebojša
AU  - Trišović, Nemanja
AU  - Božić, Bojan
AU  - Lalić-Popović, Mladena
PY  - 2023
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/6224
AB  - Percutaneous permeation of twenty-four newly synthesized succinimide derivatives was evaluated using parallel artificial membrane permeability assay (PAMPA) with 70% silicone oil and 30% isopropyl myristate. Different online tools were applied for in silico predicting of their skin permeability. According to the in silico estimation of the transdermal permeation, all compounds are expected to have relatively good ability to permeate the skin, at pH=6. However, for two compounds containing carboxylic groups, the concentration in the acceptor compartment was undetectable indicating limited permeation at pH=7.4. Statistically significant association was found between in silico predicted logKp values by the PreADMET and SwissADME online tools and the percutaneous permeability estimated from the experimental results using the artificial membranes (adj. r2 = 0.371, p = 0.00158 and adj. r2=0.232, p = 0.0135, respectively). The association between permeation through artificial membranes and the calculated logP data was also statistically significant. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) took into account in silico logKp and calculated logP data. The ranking of the lipophilicity and skin permeability parameters was conducted with sum of ranking differences (SRD) analysis which was validated. Based on the obtained results, it is predicted that lipophilicity is a pivotal physico-chemical parameter of the passive permeation of succinimide derivatives through hydrophobic barriers such as the skin. © 2022 Elsevier B.V.
T2  - Journal of Molecular Structure
T2  - Journal of Molecular Structure
T1  - Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models
VL  - 1274
DO  - 10.1016/j.molstruc.2022.134516
ER  - 

@article{
author = "Vidović, Dunja and Milošević, Nataša and Pavlović, Nebojša and Todorović, Nemanja and Čanji Panić, Jelena and Kovačević, Strahinja and Karadžić Banjac, Milica and Podunavac-Kuzmanović, Sanja and Banjac, Nebojša and Trišović, Nemanja and Božić, Bojan and Lalić-Popović, Mladena",
year = "2023",
abstract = "Percutaneous permeation of twenty-four newly synthesized succinimide derivatives was evaluated using parallel artificial membrane permeability assay (PAMPA) with 70% silicone oil and 30% isopropyl myristate. Different online tools were applied for in silico predicting of their skin permeability. According to the in silico estimation of the transdermal permeation, all compounds are expected to have relatively good ability to permeate the skin, at pH=6. However, for two compounds containing carboxylic groups, the concentration in the acceptor compartment was undetectable indicating limited permeation at pH=7.4. Statistically significant association was found between in silico predicted logKp values by the PreADMET and SwissADME online tools and the percutaneous permeability estimated from the experimental results using the artificial membranes (adj. r2 = 0.371, p = 0.00158 and adj. r2=0.232, p = 0.0135, respectively). The association between permeation through artificial membranes and the calculated logP data was also statistically significant. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) took into account in silico logKp and calculated logP data. The ranking of the lipophilicity and skin permeability parameters was conducted with sum of ranking differences (SRD) analysis which was validated. Based on the obtained results, it is predicted that lipophilicity is a pivotal physico-chemical parameter of the passive permeation of succinimide derivatives through hydrophobic barriers such as the skin. © 2022 Elsevier B.V.",
journal = "Journal of Molecular Structure, Journal of Molecular Structure",
title = "Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models",
volume = "1274",
doi = "10.1016/j.molstruc.2022.134516"
}

Vidović, D., Milošević, N., Pavlović, N., Todorović, N., Čanji Panić, J., Kovačević, S., Karadžić Banjac, M., Podunavac-Kuzmanović, S., Banjac, N., Trišović, N., Božić, B.,& Lalić-Popović, M.. (2023). Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models. in Journal of Molecular Structure, 1274.
https://doi.org/10.1016/j.molstruc.2022.134516

Vidović D, Milošević N, Pavlović N, Todorović N, Čanji Panić J, Kovačević S, Karadžić Banjac M, Podunavac-Kuzmanović S, Banjac N, Trišović N, Božić B, Lalić-Popović M. Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models. in Journal of Molecular Structure. 2023;1274.
doi:10.1016/j.molstruc.2022.134516 .

Vidović, Dunja, Milošević, Nataša, Pavlović, Nebojša, Todorović, Nemanja, Čanji Panić, Jelena, Kovačević, Strahinja, Karadžić Banjac, Milica, Podunavac-Kuzmanović, Sanja, Banjac, Nebojša, Trišović, Nemanja, Božić, Bojan, Lalić-Popović, Mladena, "Predicting percutaneous permeation for new succinimide derivatives by in vitro and in silico models" in Journal of Molecular Structure, 1274 (2023),
https://doi.org/10.1016/j.molstruc.2022.134516 . .

TY  - RPRT
AU  - Stevanović, M.
AU  - Vojvodić, M.
AU  - Kovačević, S.
AU  - Aleksić, G.
AU  - Živković, S.
AU  - Bulajić, A.
PY  - 2021
UR  - http://aspace.agrif.bg.ac.rs/handle/123456789/5818
PB  - American Phytopathological Society
T2  - Plant Disease
T1  - First Report of Powdery Mildew of Blackberry Caused by Podosphaera aphanis in Serbia
IS  - 2
SP  - 503
VL  - 105
DO  - 10.1094/PDIS-06-20-1171-PDN
ER  - 

@techreport{
author = "Stevanović, M. and Vojvodić, M. and Kovačević, S. and Aleksić, G. and Živković, S. and Bulajić, A.",
year = "2021",
publisher = "American Phytopathological Society",
journal = "Plant Disease",
title = "First Report of Powdery Mildew of Blackberry Caused by Podosphaera aphanis in Serbia",
number = "2",
pages = "503",
volume = "105",
doi = "10.1094/PDIS-06-20-1171-PDN"
}

Stevanović, M., Vojvodić, M., Kovačević, S., Aleksić, G., Živković, S.,& Bulajić, A.. (2021). First Report of Powdery Mildew of Blackberry Caused by Podosphaera aphanis in Serbia. in Plant Disease
American Phytopathological Society., 105(2), 503.
https://doi.org/10.1094/PDIS-06-20-1171-PDN

Stevanović M, Vojvodić M, Kovačević S, Aleksić G, Živković S, Bulajić A. First Report of Powdery Mildew of Blackberry Caused by Podosphaera aphanis in Serbia. in Plant Disease. 2021;105(2):503.
doi:10.1094/PDIS-06-20-1171-PDN .

Stevanović, M., Vojvodić, M., Kovačević, S., Aleksić, G., Živković, S., Bulajić, A., "First Report of Powdery Mildew of Blackberry Caused by Podosphaera aphanis in Serbia" in Plant Disease, 105, no. 2 (2021):503,
https://doi.org/10.1094/PDIS-06-20-1171-PDN . .