Abdelouahid Sbai

In silico anticancer activity of isoxazolidine and isoxazolines derivatives: DFT study, ADMET prediction, and molecular docking

Moulay Driss Mellaoui, Khadija Zaki, Khalid Abbiche et al. · Journal of Molecular Structure · 2024 · 28 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Computational assessment of the reactivity and pharmaceutical potential of novel triazole derivatives: An approach combining DFT calculations, molecular dynamics simulations, and molecular docking

Kamal Tabti, Abdelouahid Sbai, Hamid Maghat et al. · Arabian Journal of Chemistry · 2023 · 27 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Molecular toxicity of nitrobenzene derivatives to tetrahymena pyriformis based on SMILES descriptors using Monte Carlo, docking, and MD simulations

Mohamed Ouabane, Khadija Zaki, Kamal Tabti et al. · Computers in Biology and Medicine · 2023 · 27 citations

Pharmacy, Chemistry, Toxicology +16

From farm to pharma: Investigation of the therapeutic potential of the dietary plants Apium graveolens L., Coriandrum sativum, and Mentha longifolia, as AhR modulators for Immunotherapy

Khadija Zaki, Mohamed Ouabane, Abdelkrim Guendouzi et al. · Computers in Biology and Medicine · 2024 · 21 citations

Life Sciences, Botany, Plant Sciences +5

Garlic as an effective antifungal inhibitor: A combination of reverse docking, molecular dynamics simulation, ADMET screening, DFT, and retrosynthesis studies

Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh et al. · Arabian Journal of Chemistry · 2024 · 16 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17