| In silico design of novel Pyrazole derivatives containing thiourea skeleton as anti-cancer agents using: 3D QSAR, Drug-Likeness studies, ADMET prediction and molecular docking MB L. El Mchichi a,, A. El Aissouq b, R. Kasmi b, A. Belhassan a, R. El ... Materials Today: Proceedings 45, 7661–7674, 2021 | 37 | 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, R Hmamouchi, ... Heliyon 7 (3), 2021 | 25 | 2021 |
| 3D-QSAR study, docking molecular and simulation dynamic on series of benzimidazole derivatives as anti-cancer agents L El Mchichi, K Tabti, R Kasmi, R El-Mernissi, A El Aissouq, F En-Nahli, ... Journal of the Indian Chemical Society 99 (9), 100582, 2022 | 23 | 2022 |
| 3D-QSAR modeling, molecular docking and ADMET properties of benzothiazole derivatives as α-glucosidase inhibitors A Khaldan, S Bouamrane, R El-mernissi, H Maghat, MA Ajana, A Sbai, ... Materials Today: Proceedings 45, 7643-7652, 2021 | 21 | 2021 |
| In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET … S Bouamrane, A Khaldan, H Hajji, R El-Mernissi, M Alaqarbeh, ... Molecular Diversity 27 (5), 2111-2132, 2023 | 15 | 2023 |
| 3D-QSAR, molecular docking, molecular dynamic simulation, and ADMET study of bioactive compounds against candida albicans TL S. Bouamrane, A. Khaldan, H. Hajji, R. El-mernissi, H. Maghat, M.A. Ajana ... Moroccan Journal of Chemistry 10 (3), 523-541, 2022 | 15* | 2022 |
| Computational study of quinoline-based thiadiazole compounds as potential antileishmanial inhibitors A Khaldan, S Bouamrane, R El-mernissi, M Alaqarbeh, H Hajji, ... New Journal of Chemistry 46 (36), 17554-17576, 2022 | 13 | 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 KEL KHATABI, I Aanouz, R El-Mernissi, AK Singh, MA Ajana, T Lakhlifi, ... Turkish Journal of Chemistry 45 (3), 647-660, 2021 | 12 | 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 | 12 | 2020 |
| 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 |
| Identification of potential α-glucosidase inhibitors: 3D-QSAR modeling, molecular docking approach TL Ayoub Khaldan1, Soukaina Bouamrane1, Reda El-mernissi1, Hamid Maghat1 ... RHAZES: Green and Applied Chemistry 12, 60~75, 2021 | 11 | 2021 |
| 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 | 10 | 2022 |
| Combined 3D-QSAR Modeling and Molecular Docking Study on metronidazole-triazole-styryl hybrids as antiamoebic activity TL Ayoub Khaldana, Khalil El khatabia, Reda El-mernissia, Abdelouahid Sbaia ... Moroccan Journal of Chemistry 8 (1), 527-539, 2020 | 10* | 2020 |
| Design of novel benzimidazole derivatives as potential α-amylase inhibitors by 3D-QSAR modeling and molecular docking studies K El Khatabi, I Aanouz, R El-Mernissi, A Khaldan, MA Ajana, ... 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, KEL Khatabi, A Khaldan, L El Mchichi, MA Ajana, T Lakhlifi, ... Materials Today: Proceedings 45, 7608-7614, 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 |
| Molecular docking, ADMET prediction, and quantum computational on 2-methoxy benzoyl hydrazone compounds as potential antileishmanial inhibitors A Khaldan, S Bouamrane, R El-Mernissi, H Maghat, A Sbai, M Bouachrine, ... Biointerface Research in Applied Chemistry 13 (4), 302, 2022 | 8 | 2022 |
| Modeling and statistical study of series of derivatives 5- (1HIndol- 5-yl) -1, 3, 4-Thiadiazol-2-amines as potent inhibitors of PIM-1 kinase 2 . Halima HAJJI1*, Yassine KOUBI1,Youness MOUKHLISS1, Reda EL-MERNISSI1 ... 2605-6895 10, 88~102, 2020 | 7* | 2020 |
Mohammed BouachrineMoulay Ismail University, Faculty of Science Meknes, Morocco在 umi.ac.ma 的电子邮件经过验证
