Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulationMohammed Er-rajy, Menana Elhallaoui, Mohamed El fadili et al.|Journal of Biomolecular Structure and Dynamics|2023Cited by 55
Design of novel anti-cancer agents targeting COX-2 inhibitors based on computational studiesMohammed Er-rajy, Menana Elhallaoui, Mohamed El fadili et al.|Arabian Journal of Chemistry|2023Cited by 45
QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzymeMohammed Er-rajy, Menana Elhallaoui, Mohamed El fadili et al.|Structural Chemistry|2023Cited by 43
In silico insights into the design of novel NR2B-selective NMDA receptor antagonists: QSAR modeling, ADME-toxicity predictions, molecular docking, and molecular dynamics investigationsMohamed El fadili, Menana Elhallaoui, Hatem A. Abuelizz et al.|BMC Chemistry|2024Cited by 29
Design and evaluation of novel triazole derivatives as potential anti-gout inhibitors: a comprehensive molecular modeling studyMohammed Er-rajy, Menana Elhallaoui, Mohamed El fadili et al.|Frontiers in Chemistry|2025Cited by 20