| QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods S Chtita, A Belhassan, M Bakhouch, AI Taourati, A Aouidate, S Belaidi, ... Chemometrics and Intelligent Laboratory Systems 210, 104266, 2021 | 63 | 2021 |
| Cameroonian medicinal plants as potential candidates of SARS-CoV-2 inhibitors RT Fouedjou, S Chtita, M Bakhouch, S Belaidi, M Ouassaf, ... Journal of Biomolecular Structure and Dynamics 40 (19), 8615-8629, 2022 | 55 | 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 | 51 | 2023 |
| 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 | 51 | 2022 |
| 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 | 48 | 2022 |
| Crystal structure, Hirshfeld surface and DFT computations, along with molecular docking investigations of a new pyrazole as a tyrosine kinase inhibitor M Chalkha, AA el Hassani, A Nakkabi, B Tüzün, M Bakhouch, ... Journal of Molecular Structure 1273, 134255, 2023 | 44 | 2023 |
| Synthesis, Characterization, DFT Mechanistic Study, Antimicrobial Activity, Molecular Modeling, and ADMET Properties of Novel Pyrazole-isoxazoline Hybrids M Chalkha, H Nour, K Chebbac, A Nakkabi, L Bahsis, M Bakhouch, ... ACS omega 7 (50), 46731-46744, 2022 | 42 | 2022 |
| Electrochemical behavior and interfacial bonding mechanism of new synthesized carbocyclic inhibitor for exceptional corrosion resistance of steel alloy: DFTB, MD and … A Chaouiki, M Chafiq, AH Al-Moubaraki, M Bakhouch, M El Yazidi, YG Ko Arabian Journal of Chemistry 15 (12), 104323, 2022 | 41 | 2022 |
| In silico investigation of phytoconstituents from Cameroonian medicinal plants towards COVID-19 treatment S Chtita, RT Fouedjou, S Belaidi, LA Djoumbissie, M Ouassaf, FA Qais, ... Structural Chemistry 33 (5), 1799-1813, 2022 | 35 | 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 | 33 | 2023 |
| Crystallographic study, biological assessment and POM/Docking studies of pyrazoles-sulfonamide hybrids (PSH): Identification of a combined Antibacterial/Antiviral pharmacophore … M Chalkha, A Nakkabi, TB Hadda, M Berredjem, A El Moussaoui, ... Journal of molecular structure 1267, 133605, 2022 | 33 | 2022 |
| 3D-QSAR, molecular docking, DFT and ADMET studies on quinazoline derivatives to explore novel DHFR inhibitors H Hadni, M Bakhouch, M Elhallaoui Journal of Biomolecular Structure and Dynamics 41 (1), 161-175, 2023 | 30 | 2023 |
| Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations S Chtita, S Belaidi, FA Qais, M Ouassaf, MM AlMogren, AA Al-Zahrani, ... Journal of King Saud University-Science 34 (7), 102226, 2022 | 30 | 2022 |
| Crystallographic study, biological evaluation and DFT/POM/Docking analyses of pyrazole linked amide conjugates: Identification of antimicrobial and antitumor pharmacophore sites M Chalkha, A El Moussaoui, TB Hadda, M Berredjem, A Bouzina, ... Journal of Molecular Structure 1252, 131818, 2022 | 29 | 2022 |
| QSAR modeling, molecular docking, ADMET prediction and molecular dynamics simulations of some 6-arylquinazolin-4-amine derivatives as DYRK1A inhibitors S Khamouli, S Belaidi, M Bakhouch, S Chtita, MA Hashmi, FA Qais Journal of Molecular Structure 1258, 132659, 2022 | 22 | 2022 |
| Michael addition of active methylene compounds to (Z)-2-arylidenebenzo[b]thiophen-3(2H)-ones M Bakhouch, G Al Houari, M Daoudi, A Kerbal Mediterranean Journal of Chemistry 4 (1), 9-17, 2015 | 22 | 2015 |
| Design, synthesis and characterization of functionalized pyrazole derivatives bearing amide and sulfonamide moieties from aza-aurones M Chalkha, M Bakhouch, M Akhazzane, M Bourass, Y Nicolas, ... Journal of Chemical Sciences 132, 1-8, 2020 | 21 | 2020 |
| Predicting the interaction between organic layer and metal substrate through DFTB and electrochemical approach for excellent corrosion protection A Chaouiki, F Hazmatulhaq, DI Han, AH Al-Moubaraki, M Bakhouch, ... Journal of Industrial and Engineering Chemistry 114, 190-204, 2022 | 18 | 2022 |
| In vitro and in silico evaluation of the antimicrobial and antioxidant activities of spiropyrazoline oxindole congeners M Chalkha, K Chebbac, H Nour, A Nakkabi, A El Moussaoui, B Tüzün, ... Arabian Journal of Chemistry 17 (1), 105465, 2024 | 16 | 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 | 14 | 2024 |
