Tahar Lakhlifi
Meknes, Morocco
Last Updated: 09/26/2026
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Found 47 publications
Molecular insight, rational chemical design and computational assessment of thiazole-based DHODH inhibitors: from structural modelling to binding free energy calculations.
Journal: Journal of biomolecular structure & dynamics
Published: December 07, 2025
Integrated computational evaluation of flavonoids from Artemisia campestris L. as FLT3 inhibitors: molecular docking, dynamics, ADMET, DFT, and topological (ELF, LOL) insights.
Journal: Journal of molecular modeling
Published: June 23, 2025
A multi-Level Study of 20S proteasome inhibitors: an integrated approach combining chemistry and Modelling.
Journal: Journal of molecular graphics & modelling
Published: April 16, 2025
Computational investigation of medicinal plants' active ingredient effects as a potential Zika virus treatment: molecular docking, molecular dynamics simulations, ADMET screening, and DFT.
Journal: Journal of molecular modeling
Published: February 17, 2025
Pyrazole-benzimidazole derivatives targeting MCF-7 breast cancer cells as potential anti-proliferative agents. 3D QSAR and In-silico investigations via molecular docking and molecular dynamics simulations.
Journal: Computers in biology and medicine
Published: November 30, 2024
Virtual Screening and Dynamic Simulation of Baloxavir Derivatives for Multitarget Breast Cancer Treatment.
Journal: Anti-cancer agents in medicinal chemistry
Published: October 31, 2024
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.
Journal: Computers in biology and medicine
Published: April 14, 2024
Design of New Aromatic Tertiary Amine-based as Butyrylcholinesterase Inhibitors Relying on Molecular Docking, ADME-Tox and Molecular Dynamics.
Journal: Current computer-aided drug design
Published: March 13, 2024
Design of novel isoxazole derivatives as tubulin inhibitors using computer-aided techniques: QSAR modeling, in silico ADMETox, molecular docking, molecular dynamics, biological efficacy, and retrosynthesis.
Journal: Journal of biomolecular structure & dynamics
Published: February 14, 2024
Inhibition of the Janus kinase protein (JAK1) by the A. Pyrethrum Root Extract for the treatment of Vitiligo pathology. Design, Molecular Docking, ADME-Tox, MD Simulation, and in-silico investigation.
Journal: Computers in biology and medicine
Published: February 13, 2024
Computational evaluation of 1,2,3-triazole-based VEGFR-2 inhibitors: anti-angiogenesis potential and pharmacokinetic assessment.
Journal: Journal of biomolecular structure & dynamics
Published: January 09, 2024
Last Updated: 09/26/2026