| Theoretical modeling and experimental studies of Terebinth extracts as green corrosion inhibitor for iron in 3% NaCl medium M Barbouchi, B Benzidia, A Aouidate, A Ghaleb, M El Idrissi Journal of King Saud University-Science 32 (7), 2995-3004, 2020 | 65 | 2020 |
| 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 |
| In silico molecular investigations of pyridine N-Oxide compounds as potential inhibitors of SARS-CoV-2: 3D QSAR, molecular docking modeling, and ADMET screening A Ghaleb, A Aouidate, HBE Ayouchia, M Aarjane, H Anane, SE Stiriba Journal of Biomolecular Structure and Dynamics 40 (1), 143-153, 2022 | 35 | 2022 |
| 3D-QSAR modeling and molecular docking studies on a series of 2, 5 disubstituted 1, 3, 4-oxadiazoles A Ghaleb, A Aouidate, M Ghamali, A Sbai, M Bouachrine, T Lakhlifi Journal of Molecular Structure 1145, 278-284, 2017 | 33 | 2017 |
| 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 |
| Combined 3D-QSAR and molecular docking study on 7, 8-dialkyl-1, 3-diaminopyrrolo-[3, 2-f] Quinazoline series compounds to understand the binding mechanism of DHFR inhibitors A Aouidate, A Ghaleb, M Ghamali, S Chtita, A Sbai, M Bouachrine, ... Journal of Molecular Structure 1139, 319-327, 2017 | 31 | 2017 |
| Synthesis, spectroscopic characterization (FT-IR, NMR) and DFT computational studies of new isoxazoline derived from acridone M Aarjane, S Slassi, A Ghaleb, A Amine Journal of Molecular Structure 1231, 129921, 2021 | 26 | 2021 |
| In silico exploration of aryl halides analogues as checkpoint kinase 1 inhibitors by using 3D QSAR, molecular docking study, and ADMET screening A Ghaleb, A Aouidate, M Bouachrine, T Lakhlifi, A Sbai Advanced Pharmaceutical Bulletin 9 (1), 84, 2019 | 25 | 2019 |
| 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 |
| Synthesis, biological evaluation, molecular docking and in silico ADMET screening studies of novel isoxazoline derivatives from acridone M Aarjane, S Slassi, A Ghaleb, B Tazi, A Amine Arabian Journal of Chemistry 14 (4), 103057, 2021 | 22 | 2021 |
| QSAR study of new compounds based on 1, 2, 4-triazole as potential anticancer agents L Elmchichi, A Belhassan, A Aouidate, A Ghaleb, T Lakhlifi, M Bouachrine Physical Chemistry Research 8 (1), 125-137, 2020 | 20 | 2020 |
| Click synthesis, anticancer activity, and molecular docking investigation of some functional 1, 2, 3-triazole derivatives M Hrimla, A Oubella, Y Laamari, L Bahsis, A Ghaleb, A Auhmani, ... Biointerface Res. Appl. Chem 12 (6), 7633-7667, 2021 | 17 | 2021 |
| 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 | 14 | 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 |
| Chemical Profiling and Biological Properties of Essential Oils of Lavandula stoechas L. Collected from Three Moroccan Sites: In Vitro and In Silico Investigations T Benali, A Lemhadri, K Harboul, H Chtibi, A Khabbach, SM Jadouali, ... Plants 12 (6), 1413, 2023 | 12 | 2023 |
| 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 |
| Combining DFT and QSAR studies for predicting psychotomimetic activity of substituted phenethylamines using statistical methods A Aouidate, A Ghaleb, M Ghamali, S Chtita, M Choukrad, A Sbai, ... Journal of Taibah University for Science 10 (6), 787-796, 2016 | 12 | 2016 |
| 3D QSAR Modeling and Molecular Docking Studies on a series of quinolone-triazole derivatives as antibacterial agents A KHALDAN RHAZES: Green and Applied Chemistry 6, 11-26, 2019 | 7 | 2019 |
| Prediction of biological activity of pyrazolo [3, 4-b] quinolinyl acitamide by qsar results L El Mchichi, A Aouidate, FZ Chokrafi, A Ghaleb, F Khalil, T Lakhlifi, ... RHAZES: Green and Applied Chemistry 3 (3), 79-93, 2018 | 7 | 2018 |
| Combining DFT and QSAR computation to predict the interaction of flavonoids with the GABA (A) receptor using electronic and topological descriptors M Ghamali, S Chtita, A Aouidate, A Ghaleb, M Bouachrine, T Lakhlifi Journal of Taibah University for Science 11 (3), 422-433, 2017 | 7 | 2017 |
