Samir Chtita

QSAR, molecular docking and ADMET properties in silico studies of novel 4,5,6,7-tetrahydrobenzo[D]-thiazol-2-Yl derivatives derived from dimedone as potent anti-tumor agents through inhibition of C-Met receptor tyrosine kinase

Souad Elkhattabi, Samir Chtita, Rachida Elkhalabi et al. · Heliyon · 2021 · 116 citations · Full text

Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach

Mubashir Aziz, Syeda Abida Ejaz, Nissren Tamam et al. · Scientific Reports · 2022 · 105 citations · Full text

Combined molecular docking and dynamics simulations studies of natural compounds as potent inhibitors against SARS-CoV-2 main protease

Mebarka Ouassaf, Samir Chtita, Touhami Lanez et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 79 citations

Design of novel benzimidazole derivatives as potential α-amylase inhibitors using QSAR, pharmacokinetics, molecular docking, and molecular dynamics simulation studies

Oussama Abchır, Mebarka Ouassaf, Faizan Abul Qais et al. · Journal of Molecular Modeling · 2022 · 73 citations

Medicinal Chemistry, Pharmaceutical Science, Derivatives +14

Virtual screening in drug-likeness and structure/activity relationship of pyridazine derivatives as Anti-Alzheimer drugs

İmane BENBRAHİM, Leena Sinha, Samir Chtita · Journal of King Saud University - Science · 2018 · 70 citations · Full text

Drug Target, Computational Techniques, Neurochemical Biomarkers +18