Molecular toxicity of nitrobenzene derivatives to tetrahymena pyriformis based on SMILES descriptors using Monte Carlo, docking, and MD simulationsMohamed Ouabane, Tahar Lakhlifi, Kamal Tabti et al.|Computers in Biology and Medicine|2023Cited by 27
In silico anticancer activity of isoxazolidine and isoxazolines derivatives: DFT study, ADMET prediction, and molecular dockingMoulay Driss Mellaoui, Hanane Zejli, Al Mokhtar Lamsabhi et al.|Journal of Molecular Structure|2024Cited by 27
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 ImmunotherapyKhadija Zaki, Tahar Lakhlıfı, Mohamed Ouabane et al.|Computers in Biology and Medicine|2024Cited by 21
Exploring Structure–Toxicity Relationships in Nitrobenzene and Derivatives: A Multifaceted Biochemical Investigation Using 3D–QSPR, HQSPR, Molecular Docking, and MD SimulationMohamed Ouabane, Tahar Lakhlıfı, Abdelkrim Guendouzi et al.|ChemistrySelect|2024Cited by 13
Unraveling the mechanism, regioselectivity, and stereoselectivity of [3 + 2] cycloaddition reactions for anticancer spirooxindole derivatives: A density functional theory studyKhadija Zaki, Tahar Lakhlıfı, Mohamed Ouabane et al.|Computational and Theoretical Chemistry|2025Cited by 10