Ayoub Khaldan

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties

Ayoub Khaldan, Soukaina Bouamrane, Fatima En-Nahli et al. · Heliyon · 2021 · 31 citations · Full text

Structure-odor relationship in pyrazines and derivatives: A physicochemical study using 3D-QSPR, HQSPR, Monte Carlo, molecular docking, ADME-Tox and molecular dynamics

Mohamed Ouabane, Kamal Tabti, Halima Hajji et al. · Arabian Journal of Chemistry · 2023 · 26 citations · Full text

Medicinal Chemistry, Engineering, Chemical Analysis +15

In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling

Soukaina Bouamrane, Ayoub Khaldan, Halima Hajji et al. · Molecular Diversity · 2022 · 24 citations

Molecular Docking, Medicinal Chemistry, Antifungal Agent +11

3D-QSAR modeling, molecular docking and ADMET properties of benzothiazole derivatives as α-glucosidase inhibitors

Ayoub Khaldan, Soukaina Bouamrane, Reda El-Mernissi et al. · Materials Today Proceedings · 2021 · 19 citations

Molecular Pharmacology, Medicinal Chemistry, Biochemistry +12

3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity

Reda El-Mernissi, Ayoub Khaldan, Soukaina Bouamrane et al. · Journal of Biomolecular Structure and Dynamics · 2023 · 19 citations

Medicinal Chemistry, Medicine, Simulation Dynamic +12