| QSAR, ADMET In silico pharmacokinetics, molecular docking and molecular dynamics studies of novel bicyclo (aryl methyl) benzamides as potent GlyT1 inhibitors for the treatment … M El Fadili, M Er-Rajy, M Kara, A Assouguem, A Belhassan, A Alotaibi, ... Pharmaceuticals 15 (6), 670, 2022 | 33 | 2022 |
| 3D-QSAR, ADME-Tox in silico prediction and molecular docking studies for modeling the analgesic activity against neuropathic pain of novel NR2B-selective NMDA receptor antagonists M El fadili, M Er-rajy, H Imtara, M Kara, S Zarougui, N Altwaijry, ... Processes 10 (8), 1462, 2022 | 23 | 2022 |
| 2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives M Er-rajy, M El Fadili, H Hadni, NN Mrabti, S Zarougui, M Elhallaoui Structural Chemistry 33 (3), 973-986, 2022 | 22 | 2022 |
| QSAR, ADME-Tox, molecular docking and molecular dynamics simulations of novel selective glycine transporter type 1 inhibitors with memory enhancing properties M Er-rajy, H Imtara, OM Noman, RA Mothana, S Abdullah, S Zerougui, ... Heliyon 9 (2), 2023 | 16 | 2023 |
| Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation M Er-Rajy, M El Fadili, S Mujwar, S Zarougui, M Elhallaoui Journal of Biomolecular Structure and Dynamics 41 (21), 11657-11670, 2023 | 13 | 2023 |
| QSAR, molecular docking, ADMET properties in silico studies for a series of 7-propanamide benzoxaboroles as potent anti-cancer agents ERR Mohammed, M EL FADILI, NN Mrabti, S Zarougui, M Elhallaoui Chinese Journal of Analytical Chemistry 50 (12), 100163, 2022 | 13 | 2022 |
| An in-silico investigation based on molecular simulations of novel and potential brain-penetrant GluN2B NMDA receptor antagonists as anti-stroke therapeutic agents M El Fadili, M Er-Rajy, W Ali Eltayb, M Kara, H Imtara, S Zarougui, ... Journal of Biomolecular Structure and Dynamics 42 (12), 6174-6188, 2024 | 10 | 2024 |
| QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme M Er-rajy, ME Fadili, S Mujwar, FZ Lenda, S Zarougui, M Elhallaoui Structural Chemistry 34 (4), 1527-1543, 2023 | 10 | 2023 |
| In-silico screening based on molecular simulations of 3, 4-disubstituted pyrrolidine sulfonamides as selective and competitive GlyT1 inhibitors M Er-rajy, WA Eltayb, M Kara, A Assouguem, A Saleh, O Al Kamaly, ... Arabian Journal of Chemistry 16 (10), 105105, 2023 | 9 | 2023 |
| Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studies M Er-rajy, S Mujwar, H Imtara, SZ Alshawwa, FA Nasr, S Zarougui, ... Arabian Journal of Chemistry 16 (10), 105193, 2023 | 7 | 2023 |
| 3D-QSAR studies, molecular docking, molecular dynamic simulation, and ADMET proprieties of novel pteridinone derivatives as PLK1 inhibitors for the treatment of prostate cancer M Er-Rajy, M El Fadili, H Imtara, A Saeed, A Ur Rehman, S Zarougui, ... Life 13 (1), 127, 2023 | 7 | 2023 |
| Al kamaly, OM; Al Sfouk, A.; Elhallaoui, M. 3D-QSAR, ADME-Tox In Silico Prediction and Molecular Docking Studies for Modeling the Analgesic Activity against Neuropathic Pain of … M Er-rajy, H Imtara, M Kara, S Zarougui, N Altwaijry s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2022 | 4 | 2022 |
| Molecular docking and QSAR studies for modeling the inhibitory activity of pyrazole-benzimidazolone Hybrids as Novel Inhibitors of Human 4-hydroxyphenylpyruvate dioxygenase … NN Mrabti, HN Mrabti, Z Khalil, A Bouyahya, ER Mohammed, K Dguigui, ... Biointerface Res. Appl. Chem 13, 38, 2022 | 4 | 2022 |
| In-silico investigations of novel tacrine derivatives potency against Alzheimer's disease M Er-rajy, M Abdalla, HA Abuelizz, S Zarougui, FM Alkhulaifi, ... Scientific African 23, e02048, 2024 | 3 | 2024 |
| El fadili M Er-rajy M., Imtara, H., Saeed, A., Ur Rehman, A., Zarougui, S., et al.(2023a). 3D …, 2023 | 3 | 2023 |
| Design of novel benzylidenecyclohexenones derivatives as potential anti-cancer inhibitors using 3D-QSAR, pharmacokinetics, and molecular docking studies. M Er-rajy, NN Mrabti, S Zarougui, M Elhallaoui | 2 | 2022 |
| Design of potential anti-cancer agents as COX-2 inhibitors, using 3D-QSAR modeling, molecular docking, oral bioavailability proprieties, and molecular dynamics simulation M Er-Rajy, A Faris, S Zarougui, M Elhallaoui Anti-Cancer Drugs 35 (2), 117-128, 2024 | 1 | 2024 |
| QSAR, DFT studies, docking molecular and simulation dynamic molecular of 2-styrylquinoline derivatives through their anticancer activity S Zarougui, M Er-rajy, A Faris, H Imtara, SZ Alshawwa, FA Nasr, M Aloui, ... Journal of Saudi Chemical Society 27 (6), 101728, 2023 | 1 | 2023 |
| 3D computer modeling of inhibitors targeting the MCF-7 breast cancer cell line S Zarougui, M Er-Rajy, A Faris, H Imtara, M El Fadili, AA Qurtam, FA Nasr, ... Frontiers in Chemistry 12, 1384832, 2024 | | 2024 |
| QSAR modelling, molecular docking, molecular dynamic and ADMET prediction of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors M Aloui, M Er-Rajy, H Imtara, A Goudzal, S Zarougui, DE Arthur, ... Saudi Pharmaceutical Journal 32 (1), 101911, 2024 | | 2024 |
