| Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies O Abchir, O Daoui, S Belaidi, M Ouassaf, FA Qais, S ElKhattabi, ... Journal of Molecular Modeling 28 (4), 106, 2022 | 45 | 2022 |
| A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular … O Daoui, H Nour, O Abchir, S Elkhattabi, M Bakhouch, S Chtita Journal of Biomolecular Structure and Dynamics 41 (16), 7768-7785, 2023 | 36 | 2023 |
| Combined computational approaches for developing new anti-Alzheimer drug candidates: 3D-QSAR, molecular docking and molecular dynamics studies of liquiritigenin derivatives H Nour, O Daoui, O Abchir, S ElKhattabi, S Belaidi, S Chtita Heliyon 8 (12), 2022 | 30 | 2022 |
| 2D‐QSAR and molecular docking studies of carbamate derivatives to discover novel potent anti‐butyrylcholinesterase agents for Alzheimer's disease treatment H Nour, O Abchir, S Belaidi, FA Qais, S Chtita, S Belaaouad Bulletin of the Korean Chemical Society 43 (2), 277-292, 2022 | 27 | 2022 |
| Exploration of Cannabis constituents as potential candidates against diabetes mellitus disease using molecular docking, dynamics simulations and ADMET investigations O Abchir, O Daoui, H Nour, I Yamari, S Elkhattabi, A Errougui, S Chtita Scientific African 21, e01745, 2023 | 22 | 2023 |
| Identification of new dihydrophenanthrene derivatives as promising anti-SARS-CoV-2 drugs through in silico investigations I Yamari, O Abchir, H Nour, M El Kouali, S Chtita Main Group Chemistry, 1-16, 2023 | 21 | 2023 |
| The anti-SARS-CoV-2 activity of novel 9, 10-dihydrophenanthrene derivatives: an insight into molecular docking, ADMET analysis, and molecular dynamics simulation I Yamari, O Abchir, SN Mali, A Errougui, M Talbi, M El Kouali, S Chtita Scientific African 21, e01754, 2023 | 18 | 2023 |
| Structure‐based Virtual Screening, ADMET analysis, and molecular dynamics simulation of Moroccan natural compounds as candidates α‐amylase inhibitors O Abchir, I Yamari, H Nour, O Daoui, S ElKhattabi, A Errougui, S Chtita ChemistrySelect 8 (26), e202301092, 2023 | 15 | 2023 |
| Research of new acetylcholinesterase inhibitors based on QSAR and molecular docking studies of benzene-based carbamate derivatives H Nour, O Abchir, S Belaidi, S Chtita Structural Chemistry 33 (6), 1935-1946, 2022 | 14 | 2022 |
| Synthesis, biological evaluation and molecular modelling of 3-Formyl-6-isopropylchromone derived thiosemicarbazones as α-glucosidase inhibitors R Basri, S Ullah, A Khan, SN Mali, O Abchir, S Chtita, A El-Gokha, ... Bioorganic Chemistry 139, 106739, 2023 | 9 | 2023 |
| Design of a new potent Alzheimer's disease inhibitor based on QSAR, molecular docking and molecular dynamics investigations M Khedraoui, H Nour, I Yamari, O Abchir, A Errougui, S Chtita Chemical Physics Impact 7, 100361, 2023 | 5 | 2023 |
| The anticoagulant potential of Lippia Alba extract in inhibiting SARS-CoV-2 Mpro: Density functional calculation, molecular docking analysis, and molecular dynamics simulations I Yamari, O Abchir, F Siddique, H Zaki, A Errougui, M Talbi, M Bouachrine, ... Scientific African 23, e01986, 2024 | 4 | 2024 |
| Identification of novel NLRP3 inhibitors: A comprehensive approach using 2D-QSAR, molecular docking, molecular dynamics simulation and drug-likeness evaluation M Mouhsin, O Abchir, FS El Otmani, AA Oumghar, M Oubenali, S Chtita, ... Chemical Papers 78 (2), 1193-1204, 2024 | 3 | 2024 |
| In vitro and in silico analysis for elucidation of antioxidant potential of Djiboutian Avicennia Marina (Forsk.) Vierh. phytochemicals AS Mohamed, A Elmi, R Spina, MAY Kordofani, D Laurain-Mattar, H Nour, ... Journal of Biomolecular Structure and Dynamics, 1-16, 2023 | 3 | 2023 |
| Genotoxic effects and mitosis aberrations of chromium (VI) on root cells of Vicia faba and its molecular docking analysis M Bouhadi, O Abchir, I Yamari, AEH El Youbi, A Azgaoui, S Chtita, ... Plant Physiology and Biochemistry 207, 108361, 2024 | 2 | 2024 |
| Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents A Arzine, O Abchir, M Chalkha, K Chebbac, Y Rhazi, N Barghady, ... Computational Biology and Chemistry 108, 107993, 2024 | 2 | 2024 |
| Synthesis, characterization, mechanistic study, in-vitro and in-silico evaluation of antibacterial and antioxidant activities of novel pyrazole-pyrazoline hybrid systems N Barghady, M Chalkha, I Yamari, N Aflak, O Abchir, K Chebbac, ... Journal of Molecular Structure 1309, 138087, 2024 | 1 | 2024 |
| Integrative Approach for Designing Novel Triazole Derivatives as α-Glucosidase Inhibitors: QSAR, Molecular Docking, ADMET, and Molecular Dynamics Investigations O Abchir, M Khedraoui, H Nour, I Yamari, A Errougui, A Samadi, S Chtita Pharmaceuticals 17 (2), 261, 2024 | 1 | 2024 |
| Discovery of a Potential Inhibitor Against Lung Cancer: Computational Approaches and Molecular Dynamics Study EM Karim, O ABCHIR, H Nour, I Yamari, L Bennani, MH El Kouali, M Talbi, ... Physical Chemistry Research 12 (3), 579-589, 2024 | | 2024 |
| Combined 3D-QSAR, molecular docking, ADMET, and drug-likeness scoring of novel diaminodihydrotriazines as potential antimalarial agents N Khelfa, S Belaidi, O Abchir, I Yamari, S Chtita, A Samadi, MM Al-Mogren, ... Scientific African 24, e02202, 2024 | | 2024 |
Samir ChtitaProfessor - Faculty of sciences, Ben M'Sik, Hassan II UniversityAdresse e-mail validée de univh2c.ma
