| QSAR, molecular docking and ADMET properties in silico studies of novel 4, 5, 6, 7-tetrahydrobenzo [D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor … O Daoui, S Elkhattabi, S Chtita, R Elkhalabi, H Zgou, AT Benjelloun Heliyon 7 (7), 2021 | 67 | 2021 |
| 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 |
| Design, synthesis, characterization, in vitro screening, molecular docking, 3D-QSAR, and ADME-Tox investigations of novel pyrazole derivatives as antimicrobial agents M Chalkha, M Akhazzane, FZ Moussaid, O Daoui, A Nakkabi, ... New Journal of Chemistry 46 (6), 2747-2760, 2022 | 37 | 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 |
| 3D-QSAR, ADME-Tox, and molecular docking of semisynthetic triterpene derivatives as antibacterial and insecticide agents O Daoui, N Mazoir, M Bakhouch, M Salah, A Benharref, ... Structural Chemistry 33 (4), 1063-1084, 2022 | 36 | 2022 |
| 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 |
| Rational identification of small molecules derived from 9, 10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer-aided drug design … O Daoui, S Elkhattabi, S Chtita Structural Chemistry 33 (5), 1667-1690, 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 |
| Rational design of novel pyridine-based drugs candidates for lymphoma therapy O Daoui, S Elkhattabi, S Chtita Journal of Molecular Structure 1270, 133964, 2022 | 21 | 2022 |
| Cyclohexane-1, 3-dione derivatives as future therapeutic agents for NSCLC: QSAR modeling, in silico ADME-Tox properties, and structure-based drug designing approach O Daoui, S Elkhattabi, M Bakhouch, S Belaidi, RR Bhandare, AB Shaik, ... ACS omega 8 (4), 4294-4319, 2023 | 20 | 2023 |
| Design and prediction of ADME/Tox properties of novel magnolol derivatives as anticancer agents for NSCLC using 3D-QSAR, molecular docking, MOLCAD and MM-GBSA studies O Daoui, S Elkhattabi, S Chtita Letters in Drug Design & Discovery 20 (5), 545-569, 2023 | 19 | 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 |
| 3D-QSAR, drug-likeness, ADMET prediction, and molecular docking studies in silico of novel 5-oxo-1-thioxo-4, 5-dihydro-1H-thiazolo [3, 4-a] quinazoline derivatives as MALT1 … R Haloui, O Daoui, K Mkhayar, M El Yaqoubi, S Elkhattabi, A Haoudi, ... Chemical Papers 77 (4), 2255-2274, 2023 | 12 | 2023 |
| Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors M Ouassaf, O Daoui, S Alam, S Elkhattabi, S Belaidi, S Chtita Journal of Biomolecular Structure and Dynamics 41 (16), 7712-7724, 2023 | 10 | 2023 |
| Design of novel carbocycle-fused quinoline derivatives as potential inhibitors of lymphoblastic leukemia cell line MOLT-3 using 2D-QSAR and ADME-Tox studies O DAOUI, K MKHAYAR, S Elkhatabi, S CHTITA, H Zgou, K Elkhalabi RHAZES: Green and Applied Chemistry 14, 36-61, 2022 | 9 | 2022 |
| Repositioning Cannabinoids and Terpenes as Novel EGFR-TKIs Candidates for Targeted Therapy Against Cancer: A virtual screening model using CADD and biophysical simulations O Daoui, SN Mali, K Elkhattabi, S Elkhattabi, S Chtita Heliyon 9 (4), 2023 | 6 | 2023 |
| A strategy to enhance V OC of π-conjugated molecules based on thieno [2, 3-b] indole for applications in bulk heterojunction organic solar cells using DFT, TD-DFT, and 3D-QSPR … R El Mouhi, O Daoui, A Fitri, AT Benjelloun, S El Khattabi, M Benzakour, ... New Journal of Chemistry 47 (2), 812-827, 2023 | 6 | 2023 |
| Evaluation of dimedone-derived compounds as inhibitors against human colon cancer: Insights from 2D-QSAR, ADMET prediction, Osiris, Molinspiration, and molecular modeling K Mkhayar, K Elkhattabi, R Elkhalabi, R Haloui, O Daoui, EI Edache, ... Chinese Journal of Analytical Chemistry 51 (11), 100330, 2023 | 5 | 2023 |
| Study of the competition between Pi and Cr (VI) for the use of Pi-transporter at Vicia faba L. using molecular modeling M Bouhadi, O Daoui, H El Hajjouji, S Elkhattabi, S Chtita, M Talbi, ... Plant Physiology and Biochemistry 196, 695-702, 2023 | 5 | 2023 |
| 3D-QSAR modeling, molecular docking and drug-like properties investigations of novel heterocyclic compounds derived from magnolia officinalis as hit compounds against NSCLC O Daoui, R El Mouhi, F Barghady, K Mkhayar, S Elkhattabi, S Chtita, ... Moroccan Journal of Chemistry 10 (4), 10-4 (2022) 881-890, 2022 | 5 | 2022 |
Samir ChtitaProfessor - Faculty of sciences, Ben M'Sik, Hassan II UniversityAdresse e-mail validée de univh2c.ma
