| Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations I Aanouz, A Belhassan, K El khatabi, T Lakhlifi, M El-Ldrissi, ... Journal of Biomolecular Structure and Dynamics 39 (8), 2971-2979, 2021 | 382 | 2021 |
| Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties A Khaldan, S Bouamrane, F En-Nahli, R El-Mernissi, K El Khatabi, ... Heliyon 7 (3), e06603, 2021 | 25 | 2021 |
| Antiproliferative Activity: Discovery of new Benzoxanthenes derivatives by Using Various Statistical Methods 2D/3D-QSAR and Molecular Docking H HAJJI RHAZES: Green and Applied Chemistry 12, 40-59, 2021 | 14 | 2021 |
| 3D-QSAR and molecular docking studies of p-aminobenzoic acid derivatives to explore the features requirements of Alzheimer inhibitors K El Khatabi, I Aanouz, R El-mernissi, A Khaldan, MA Ajana, ... Orbital: The Electronic Journal of Chemistry, 172-181, 2020 | 13 | 2020 |
| Benzimidazole derivatives in identifying novel acetylcholinesterase inhibitors: a combination of 3D-QSAR, docking and molecular dynamics simulation K El Khatabi, R El-mernissi, I Aanouz, MA Ajana, T Lakhlifi, ... Physical Chemistry Research 10 (2), 237-249, 2022 | 12 | 2022 |
| 2-Oxoquinoline arylaminothiazole derivatives in identifying novel potential anticancer agents by applying 3D-QSAR, docking, and molecular dynamics simulation studies R El-Mernissi, K El Khatabi, A Khaldan, L ElMchichi, M Shahinozzaman, ... Journal of the Mexican Chemical Society 66 (1), 79-94, 2022 | 12 | 2022 |
| Identification of novel acetylcholinesterase inhibitors through 3D-QSAR, molecular docking, and molecular dynamics simulation targeting Alzheimer’s disease K El Khatabi, R El-Mernissi, I Aanouz, MA Ajana, T Lakhlifi, A Khan, ... Journal of Molecular Modeling 27, 1-13, 2021 | 12 | 2021 |
| Integrated 3D-QSAR, molecular docking, and molecular dynamics simulation studies on 1, 2, 3-triazole based derivatives for designing new acetylcholinesterase inhibitors K El Khatabi, I Aanouz, R El-Mernissi, AK Singh, MA Ajana, T Lakhlifi, ... Turkish Journal of Chemistry 45 (3), 647-660, 2021 | 12 | 2021 |
| Rational design of novel potential EGFR inhibitors by 3D-QSAR, molecular docking, molecular dynamics simulation, and pharmacokinetics studies K El Khatabi, R El-mernissi, Y Moukhliss, H Hajji, HM Rehman, R Yadav, ... Chemical Data Collections 39, 100851, 2022 | 11 | 2022 |
| Molecular docking, molecular dynamics simulation, and ADMET analysis of levamisole derivatives against the SARS-CoV-2 main protease (MPro) K El Khatabi, I Aanouz, M Alaqarbeh, MA Ajana, T Lakhlifi, M Bouachrine | 11 | 2021 |
| Design of Novel Benzimidazole Derivatives as Potential α-amylase Inhibitors by 3D-QSAR Modeling and Molecular Docking Studies K El Khatabi, I Aanouz, EL Reda, A Khaldan, MA Ajana, M Bouachrine, ... Journal of the Turkish Chemical Society Section A: Chemistry 7 (2), 471-480, 2020 | 10 | 2020 |
| Design of new 3, 5-disubstituted indole as hematological anticancer agents using 3D-QSAR, molecular docking and drug-likeness studies ELM Reda, K El Khatabi, A Khaldan, L El Mchichi, MA Ajana, T Lakhlifi, ... Materials Today: Proceedings, 2021 | 9 | 2021 |
| QSAR study of α-Glucosidase inhibitors for benzimidazole bearing bis-Schiff bases using CoMFA, CoMSIA, and molecular docking A Khaldan, S Bouamrane, R El-Mernissi, K El Khatabi, I Aanouz, ... International Journal of Quantitative Structure-Property Relationships …, 2021 | 9 | 2021 |
| Computational investigation of imidazo [2, 1-b] oxazole derivatives as potential mutant BRAF kinase inhibitors: 3D-QSAR, molecular docking, molecular dynamics simulation, and … M Boutalaka, S El Bahi, M Alaqarbeh, MA El Alaouy, Y Koubi, KE Khatabi, ... Journal of Biomolecular Structure and Dynamics 42 (10), 5268-5287, 2024 | 6 | 2024 |
| Novel Eubacterium rectale inhibitor from Coriandrum sativum L. for possible prevention of colorectal cancer: a computational approach K El Khatabi, S Kumar, R El-Mernissi, AK Singh, MA Ajana, T Lakhlifi, ... Journal of Biomolecular Structure and Dynamics 41 (17), 8402-8416, 2023 | 6 | 2023 |
| 3D-QSAR, ADMET, and molecular docking studies for designing new 1, 3, 5-triazine derivatives as anticancer agents R El-Mernissi, A Khaldan, L ElMchichi, MA Ajana, T Lakhlifi, ... Egyptian Journal of Chemistry 65 (132), 9-18, 2022 | 6 | 2022 |
| in silico studies of 1, 4-disubstituted 1, 2, 3-triazole with amide functionality antimicrobial evaluation against Escherichia coli using 3D-QSAR, molecular docking, and ADMET … Y Koubi, H Hajji, Y Moukhliss, K El Khatabi, Y El Masaoudy Moroccan Journal of Chemistry 10 (4), 10-4 (2020) 689-702, 2022 | 6 | 2022 |
| In silico analysis of 3D QSAR and Molecular Docking studies to discover new thiadiazole-thiazolone derivatives as mitotic kinesin Eg5 inhibition K El khatabi, I Aanouz, R El-mernissi, A khaldan, MA Ajana, M Bouachrine, ... Moroccan Journal of Chemistry 9 (3), 394-405, 2021 | 5* | 2021 |
| Bouachrine. and M. Lakhlifi T. 2D-QSAR modeling of novel pleconaril derivatives (isoxazole-based molecules) as antiviral inhibitors against Coxsackievirus B3 (CVB3) Y Moukhliss, K ElKhatabi, Y Koubi, H Maghat, A Sbai Jordan Journal of Pharmaceutical Sciences 14, 137-156, 2021 | 5 | 2021 |
| 2D-and 3D-QSAR and Molecular Docking of 2-Hydroxyisoquinoline-1, 3-Diones as inhibitors of HIV reverse transcriptase I Aanouz, K El Khatabi, A BelHassan, T Lakhlifi, M Elidrissi, M Bouachrine International Journal of Quantitative Structure-Property Relationships …, 2020 | 5 | 2020 |
Mohammed BouachrineMoulay Ismail University, Faculty of Science Meknes, Morocco在 umi.ac.ma 的电子邮件经过验证
