| Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX) inhibitors MT El Sayed, MAMS El-Sharief, ES Zarie, NM Morsy, AR Elsheakh, ... Bioorganic & medicinal chemistry letters 28 (5), 952-957, 2018 | 50 | 2018 |
| Design and Synthesis of N-Arylphthalimides as Inhibitors of Glucocorticoid-Induced TNF Receptor-Related Protein, Proinflammatory Mediators, and Cytokines in … MA Bhat, MA Al-Omar, MA Ansari, KMA Zoheir, F Imam, SM Attia, ... Journal of Medicinal Chemistry 58 (22), 8850-8867, 2015 | 32 | 2015 |
| Machine learning classification models to improve the docking‐based screening: a case of PI3K‐tankyrase inhibitors VP Berishvili, AE Voronkov, EV Radchenko, VA Palyulin Molecular informatics 37 (11), 1800030, 2018 | 30 | 2018 |
| Time-domain analysis of molecular dynamics trajectories using deep neural networks: application to activity ranking of tankyrase inhibitors VP Berishvili, VO Perkin, AE Voronkov, EV Radchenko, R Syed, ... Journal of chemical information and modeling 59 (8), 3519-3532, 2019 | 23 | 2019 |
| Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or COX-2 inhibitors MT El Sayed, MAMS El-Sharief, ES Zarie, NM Morsy, AR Elsheakh, ... Bioorganic Chemistry 76, 188-201, 2018 | 23 | 2018 |
| Discovery of novel tankyrase inhibitors through molecular docking-based virtual screening and molecular dynamics simulation studies VP Berishvili, AN Kuimov, AE Voronkov, EV Radchenko, P Kumar, ... Molecules 25 (14), 3171, 2020 | 19 | 2020 |
| Anti cancer, molecular docking and structure activity relationship studies of some novel synthetic spiroindolo [3, 2-b] carbazoles as predicted HER2 and BrK kinase inhibitors MT El Sayed, A Voronkov, IV Ogungbe, SM El-Hallouty, KM Ahmed, ... Current Bioactive Compounds 14 (2), 119-133, 2018 | 8 | 2018 |
| Analysis of Chemical Spaces: Implications for Drug Repurposing AA Orlov, VP Berishvili, AA Nikitina, DI Osolodkin, EV Radchenko, ... In Silico Drug Design, 359-395, 2019 | 4 | 2019 |
| Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX) inhibitors (vol 28, pg … MT El Sayed, MAM El-Sharief, ES Zarie, NM Morsy, AR Elsheakh, ... BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 61, 2022 | 1 | 2022 |
| Corrigendum to" Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential Naprosyn® analogs as COX-1 and/or … MT El Sayed, MAMS El-Sharief, ES Zarie, NM Morsy, AR Elsheakh, ... Bioorganic chemistry 122, 105753, 2022 | | 2022 |
| Corrigendum to" Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX … MT El Sayed, MAMS El-Sharief, ES Zarie, NM Morsy, AR Elsheakh, ... Bioorganic & medicinal chemistry letters 61, 128626, 2022 | | 2022 |
| Discovery Of Novel Tankyrase Inhibitor Chemotypes: An Insightful Test Case For Virtual Screening And Molecular Modeling Approaches EV Radchenko, VP Berishvili, AN Kuimov, AE Voronkov, VA Palyulin XXXVIII Symposium of Bioinformatics and Computer-Aided Drug Discovery, 54-54, 2022 | | 2022 |
| Design of dual-target Wnt pathway inhibitors using hybrid machine learning/molecular modeling approaches EV Radchenko, VP Berishvili, VO Perkin, AE Voronkov, VA Palyulin 4th Russian Conference on Medicinal Chemistry MedChem Russia 2019 …, 2019 | | 2019 |
