| Identification of a novel dual-target scaffold for 3CLpro and RdRp proteins of SARS-CoV-2 using 3D-similarity search, molecular docking, molecular dynamics and ADMET evaluation A Aouidate, A Ghaleb, S Chtita, M Aarjane, A Ousaa, H Maghat, A Sbai, ... Journal of Biomolecular Structure and Dynamics 39 (12), 4522-4535, 2021 | 54 | 2021 |
| QSAR study of N-substituted oseltamivir derivatives as potent avian influenza virus H5N1 inhibitors using quantum chemical descriptors and statistical methods S Chtita, A Aouidate, A Belhassan, A Ousaa, AI Taourati, B Elidrissi, ... New Journal of Chemistry 44 (5), 1747-1760, 2020 | 44 | 2020 |
| QSAR analysis of the toxicity of phenols and thiophenols using MLR and ANN M Ghamali, S Chtita, A Ousaa, B Elidrissi, M Bouachrine, T Lakhlifi Journal of Taibah University for Science 11 (1), 1-10, 2017 | 42 | 2017 |
| QSAR study of anti-Human African Trypanosomiasis activity for 2-phenylimidazopyridines derivatives using DFT and Lipinski's descriptors S Chtita, M Ghamali, A Ousaa, A Aouidate, A Belhassan, AI Taourati, ... Heliyon 5 (3), 2019 | 36 | 2019 |
| Furanone derivatives as new inhibitors of CDC7 kinase: development of structure activity relationship model using 3D QSAR, molecular docking, and in silico ADMET A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... Structural Chemistry 29, 1031-1043, 2018 | 31 | 2018 |
| 3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase A Aouidate, A Ghaleb, M Ghamali, A Ousaa, A Sbai, M Bouachrine, ... Computational Biology and Chemistry 74, 201-211, 2018 | 23 | 2018 |
| Acute toxicity of halogenated phenols: Combining DFT and QSAR studies A Ousaa, B Elidrissi, M Ghamali, S Chtita, M Bouachrine, T Lakhlifi Comp. J. Meth. Mol. Des 4, 10-18, 2014 | 20 | 2014 |
| Quantitative structure-toxicity relationship studies of aromatic aldehydes to Tetrahymena pyriformis based on electronic and topological descriptors A Ousaa, B Elidrissi, M Ghamali, S Chtita, A Aouidate, M Bouachrine, ... J. Mater. Environ. Sci 9 (1), 256-266, 2018 | 17 | 2018 |
| Investigation of indirubin derivatives: a combination of 3D-QSAR, molecular docking, and ADMET towards the design of new DRAK2 inhibitors A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... Structural Chemistry 29, 1609-1622, 2018 | 15 | 2018 |
| Computer aided drug design based on 3D-QSAR and molecular docking studies of 5-(1H-indol-5-yl)-1, 3, 4-thiadiazol-2-amine derivatives as PIM2 inhibitors: a proposal to chemists A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... In Silico Pharmacology 6, 1-14, 2018 | 13 | 2018 |
| QSAR study and rustic ligand-based virtual screening in a search for aminooxadiazole derivatives as PIM1 inhibitors A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... Chemistry Central Journal 12, 1-12, 2018 | 12 | 2018 |
| Toxicity in vivo of nitro-aromatic compounds: DFT and QSAR results B Elidrissi, A Ousaa, M Ghamalia, S Chtitaa, MA Ajanaa, M Bouachrineb, ... J Comput Aided Mol Des 4 (3), 28-37, 2014 | 8 | 2014 |
| QSAR and docking studies on the pyrimidine derivatives analogs with antileishmanial activity A Ousaa RHAZES: Green and Applied Chemistry 1 (1), 50-63, 2018 | 7 | 2018 |
| Structural basis of pyrazolopyrimidine derivatives as CAMKIIδ kinase inhibitors: insights from 3D QSAR, docking studies and in silico ADMET evaluation A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, M Choukrad, A Sbai, ... Chemical Papers 72 (11), 2833-2847, 2018 | 6 | 2018 |
| Experimental investigation, kinetics and statistical modeling of methylene blue removal onto Clay@ Fe3O4: Batch, fixed bed column adsorption and photo-Fenton degradation studies A Aboussabek, L Boukarma, S El Qdhy, A Ousaa, M Zerbet, M Chiban Case Studies in Chemical and Environmental Engineering 9, 100580, 2024 | 5 | 2024 |
| Molecular docking and 3D-QSAR studies on 7-azaindole derivatives as inhibitors of Trk a: a strategic design in novel anticancer agents A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Ousaa, A Sbai, ... Letters in Drug Design & Discovery 15 (11), 1211-1223, 2018 | 5 | 2018 |
| 3D-QSAR studies of isatin derivatives with anti-cancer in vitro: Advanced CoMFA, CoMSIA and docking methods B Elidrissi, A Ousaa, A Aouidate, H Zaki, M Ajana, T Lakhlif, M Bouachrine Chem. Sci. J 8, 158, 2017 | 5 | 2017 |
| The biological activity of pyrazinecarboxamides derivatives as an herbicidal agent: combining DFT and QSAR studies B Elidrissi, A Ousaa, M Ghamali, S Chtita, MA Ajana, M Bouachrine, ... Journal of Computational Methods in Molecular Design 5 (2), 83-91, 2015 | 5 | 2015 |
| QSTR analysis and combining DFT of the toxicity of heterogeneous phenols A Ousaa, B Elidrissi, M Ghamali, S Chtita, A Aouidate, M Bouachrine, ... J. Mater. Environ. Sci 8 (2), 476-484, 2017 | 4 | 2017 |
| Combining DFT and QSAR result for predicting the biological activity of 1-(2-ethoxyethyl)-1H-pyrazolo [4, 3-d] pyrimidines as phosphodiesterase V inhibitors. B Elidrissi, A Ousaa, M Ghamali, S Chtita, MA Ajana, M BOUACHRINE, ... Journal of Computational Methods in Molecular Design, 4 (4): 140-149, 2014., 2014 | 4 | 2014 |
