Sara Zarougui

QSAR, ADMET In Silico Pharmacokinetics, Molecular Docking and Molecular Dynamics Studies of Novel Bicyclo (Aryl Methyl) Benzamides as Potent GlyT1 Inhibitors for the Treatment of Schizophrenia

S. Ercişli, R. Ullah, A. Belhassan, 2022, Pharmaceuticals.

2D-QSAR modeling, drug-likeness studies, ADMET prediction, and molecular docking for anti-lung cancer activity of 3-substituted-5-(phenylamino) indolone derivatives

M. Elhallaoui, Hanine Hadni, Mohamed El fadili, 2022, Structural Chemistry.

QSAR, Molecular docking, ADMET properties in silico studies for a series of 7-propanamide benzoxaboroles as potent anti-cancer Agents

M. Elhallaoui, Mohamed El fadili, Mohammed Er-rajy, 2022, Chinese Journal of Analytical Chemistry.

3D-QSAR Studies, Molecular Docking, Molecular Dynamic Simulation, and ADMET Proprieties of Novel Pteridinone Derivatives as PLK1 Inhibitors for the Treatment of Prostate Cancer

Hamada Imtara, M. Parvez, M. Elhallaoui, 2023, Life.

QSAR, molecular docking, and molecular dynamics simulation–based design of novel anti-cancer drugs targeting thioredoxin reductase enzyme

M. Elhallaoui, S. Mujwar, Fatimazohra Lenda, 2023, Structural Chemistry.

Design of novel anti-cancer drugs targeting TRKs inhibitors based 3D QSAR, molecular docking and molecular dynamics simulation.

M. Elhallaoui, S. Mujwar, Mohamed El fadili, 2023, Journal of biomolecular structure & dynamics.

In-silico screening based on molecular simulations of 3,4-disubstituted pyrrolidine sulfonamides as selective and competitive GlyT1 inhibitors

M. Elhallaoui, Amine Assouguem, M. Kara, 2023, Arabian Journal of Chemistry.

An in-silico investigation based on molecular simulations of novel and potential brain-penetrant GluN2B NMDA receptor antagonists as anti-stroke therapeutic agents.

Hamada Imtara, M. Elhallaoui, Nawal Al-Hoshani, 2023, Journal of biomolecular structure & dynamics.

QSAR modelling, molecular docking, molecular dynamic and ADMET prediction of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors

R. Mothana, Hamada Imtara, Mohamed El fadili, 2023, Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society.

In-silico investigations of novel tacrine derivatives potency against Alzheimer's disease

Fadwa M. Alkhulaifi, Mohamed El fadili, Mohammed Er-rajy, 2023, Scientific African.