Monte Carlo optimization based QSAR modeling of the cytotoxicity of acrylic acid-based dental monomers

Authors: Bošković Mirjana, Stanković Saša, Živković Jelena V., Veselinović Aleksandar M.

Source: Journal of the Serbian Chemical Society, Vol 90, Iss 1, Pp 95-107 (2025)

Subject Terms: qsar, cytotoxicity, dental material, composite resin, smiles, monte carlo optimization, Chemistry, QD1-999

File Description: electronic resource

Relation: https://doaj.org/toc/0352-5139; https://doaj.org/toc/1820-7421

Access URL: https://doaj.org/article/2586845b174f441583bed0cae367d1fe

Las Vegas algorithm in the prediction of intrinsic solubility of drug-like compounds

Authors: Veselinović, Aleksandar M. ^{a, ⁎}, Toropova, Alla P. ^b, Toropov, Andrey A. ^b, Roncaglioni, Alessandra ^b, Benfenati, Emilio ^b

Source: In Journal of Molecular Graphics and Modelling June 2025 137

In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions

Authors: Šarić, Sandra, Kostić, Tomislav, Lović, Milan, Aleksić, Ivana, Hristov, Dejan, Šarac, Miljana, Veselinović, Aleksandar M.

Source: In Computational Biology and Chemistry October 2024 112

Increased concentration of tumour necrosis factor alpha in the plasma of glaucoma patients

Authors: Trenkić Marija, Jevtović-Stoimenov Tatjana, Bašić Jelena, Vasilijević Jelena, Ristić Dragana, Trenkić Milan, Veselinović Aleksandar, Cvetanović Marija

Source: Vojnosanitetski Pregled, Vol 81, Iss 2, Pp 103-110 (2024)

Subject Terms: biomarker, exfoliation syndrome, glaucoma, open-angle, tumor necrosis factor-alpha, Medicine (General), R5-920

File Description: electronic resource

Relation: https://doaj.org/toc/0042-8450; https://doaj.org/toc/2406-0720

Access URL: https://doaj.org/article/2ce5aa8b7e16419dba69471b6d6b7b44

A QSAR model for predicting the corneal permeability of drugs – the application of the Monte Carlo optimization methodElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2nj04301g

Authors: Zivkovic, Maja, Zlatanovic, Marko, Zlatanovic, Nevena, Golubović, Mladjan, Veselinović, Aleksandar M.

Source: New journal of chemistry. 47(1):224-230

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100172030243.0x000001&indx=1&recIds=ETOCvdc_100172030243.0x000001

QSAR modelling, molecular docking studies and ADMET predictions of polysubstituted pyridinylimidazoles as dual inhibitors of JNK3 and p38α MAPK

Authors: Živadinović, Biljana, Stamenović, Jelena, Živadinović, Jelena, Živadinović, Lazar, Sokolović, Mihajlo, Filipović, Snežana S., Sokolović, Dušan, Veselinović, Aleksandar M.

Source: In Journal of Molecular Structure 5 October 2022 1265

Development of novel antipsychotic agents by inhibiting dopamine transporter – in silico approachElectronic supplementary information (ESI) available. See DOI: 10.1039/d1nj04759k

Authors: Đorđević, Vladimir, Pešić, Srđan, Živković, Jelena, Nikolić, Goran M., Veselinović, Aleksandar M.

Source: New journal of chemistry. 46(6):2687-2696

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100140097041.0x000001&indx=1&recIds=ETOCvdc_100140097041.0x000001

SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model

Authors: Toropov, Andrey A., Toropova, Alla P., Veselinović, Aleksandar M., Leszczynska, Danuta, Leszczynski, Jerzy

Source: Journal of biomolecular structure & dynamics. 40(2):780-786

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100139236636.0x000001&indx=1&recIds=ETOCvdc_100139236636.0x000001

Monte Carlo optimization method based QSAR modeling of postmortem redistribution of structurally diverse drugsElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d2nj01944b

Authors: Antović, Aleksandra R., Karadžić, Radovan, Veselinović, Aleksandar M.

Source: New journal of chemistry. 46(30):14731-14737

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100156865262.0x000001&indx=1&recIds=ETOCvdc_100156865262.0x000001

The Assessment of Vaginal permeability – in silico Approach.

Authors: Dinić, Sonja Pop-Trajkovic, Trenkić, Milan, Živadinović, Aleksandar, Vukomanović, Predrag, Stefanović, Milan, Mitić, Dejan, Milošević, Jelena Stevanović, Veselinović, Aleksandar M.

Source: Journal of Pharmaceutical Innovation; Feb2025, Vol. 20 Issue 1, p1-11, 11p

Analysis of structural and vascular changes of the optic nerve head and macula in different stages of primary open angle glaucoma

Authors: Petrović Maja, Resan Mirko, Stanković-Babić Gordana, Šarenac-Vulović Tatjana, Radenković Marija, Veselinović Aleksandar, Trenkić Marija, Cvetanović Marija

Source: Vojnosanitetski Pregled, Vol 79, Iss 2, Pp 142-149 (2022)

Subject Terms: angiography, disease progression, glaucoma, open-angle, macula lutea, optic disc, tomography, optical coherence, Medicine (General), R5-920

File Description: electronic resource

Relation: https://doaj.org/toc/0042-8450; https://doaj.org/toc/2406-0720

Access URL: https://doaj.org/article/5fc4c60aa3b3494abdb7e96cc318f9b0

In silico development of potential therapeutic for the pain treatment by inhibiting voltage-gated sodium channel 1.7

Authors: Golubovic, Mladjan, Kostic, Tomislav, Djordjevic, Miodrag, Peric, Velimir, Lazarevic, Milan, Milic, Dragan J., Marjanovic, Vesna, Veselinović, Aleksandar M.

Source: In Computers in Biology and Medicine May 2021 132

Development of potential therapeutics for pain treatment by inducing Sigma 1 receptor antagonism – in silico approachElectronic supplementary information (ESI) available. See DOI: 10.1039/d1nj00883h

Authors: Perić, Velimir, Golubović, Mladjan, Lazarević, Milan, Marjanović, Vesna, Kostić, Tomislav, Đorđević, Miodrag, Milić, Dragan, Veselinović, Aleksandar M.

Source: New journal of chemistry. 45(27):12286-12295

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100123013849.0x000001&indx=1&recIds=ETOCvdc_100123013849.0x000001

In silico development of anesthetics based on barbiturate and thiobarbiturate inhibition of GABAA

Authors: Stošić, Biljana, Janković, Radmilo, Stošić, Marija, Marković, Danica, Stanković, Danijela, Sokolović, Dušan, Veselinović, Aleksandar M. ^*

Source: In Computational Biology and Chemistry October 2020 88

Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition—In silico approach

Authors: Ćirić Zdravković, Snezana, Pavlović, Milan, Apostlović, Svetlana, Koraćević, Goran, Šalinger Martinović, Sonja, Stanojević, Dragana, Sokolović, Dušan, Veselinović, Aleksandar M.

Source: In Computational Biology and Chemistry April 2019 79:55-62

The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models

Authors: Toropov, Andrey A., Raška, Ivan, Jr, Toropova, Alla P., Raškova, Maria, Veselinović, Aleksandar M., Veselinović, Jovana B.

Source: In Science of the Total Environment 1 April 2019 659:1387-1394

Design and development of novel therapeutics for coronary heart disease treatment based on cholesteryl ester transfer protein inhibition – in silico approach

Authors: Kostić, Tomislav, Deljanin Ilić, Marina, Perišić, Zoran, Milić, Dragan, Đorđević, Miodrag, Golubović, Mladjan, Koraćević, Goran, Šalinger Martinović, Sonja, Ćirić Zdravković, Snežana, Živić, Saša, Lazarević, Milan, Stanojević, Dragana, Dakić, Sonja, Lilić, Jelena, Veselinović, Aleksandar

Source: Journal of biomolecular structure & dynamics. 38(8):2304-2313

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100111261886.0x000001&indx=1&recIds=ETOCvdc_100111261886.0x000001

Design and development of novel therapeutics for brucellosis treatment based on carbonic anhydrase inhibition

Authors: Ničković, Vanja P., Mitić, Nebojša R., Krdžić, Biljana D., Krdžić, Jelena D., Nikolić, Gordana R., Vasić, Maja Z., Ranković, Goran, Babović, Petar, Sokolović, Dušan, Veselinović, Aleksandar M.

Source: Journal of biomolecular structure & dynamics. 38(6):1848-1857

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100111261727.0x000001&indx=1&recIds=ETOCvdc_100111261727.0x000001

The Application of the Combination of Monte Carlo Optimization Method based QSAR Modeling and Molecular Docking in Drug Design and Development

Authors: Zivkovic, Maja, Zlatanovic, Marko, Zlatanovic, Nevena, Golubović, Mladjan, Veselinović, Aleksandar M.

Source: Mini-reviews in medicinal chemistry. 20(14):1389-1402

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100109406627.0x000001&indx=1&recIds=ETOCvdc_100109406627.0x000001

Development of novel therapeutics for the treatment of glaucoma based on actin-binding kinase inhibition – in silico approachElectronic supplementary information (ESI) available. See DOI: 10.1039/c9nj05967a

Authors: Zivkovic, Maja, Zlatanovic, Marko, Zlatanovic, Nevena, Djordjevic Jocic, Jasmina, Golubović, Mladjan, Veselinović, Aleksandar M.

Source: New journal of chemistry. 44(17):6923-6931

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100109001536.0x000001&indx=1&recIds=ETOCvdc_100109001536.0x000001