Saïd Belaaouad

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

QSAR study of unsymmetrical aromatic disulfides as potent avian SARS-CoV main protease inhibitors using quantum chemical descriptors and statistical methods

Samir Chtita, Assia Belhassan, Mohamed Bakhouch et al. · Chemometrics and Intelligent Laboratory Systems · 2021 · 65 citations · Full text

Combinatorial Chemistry, Medicinal Chemistry, Statistical Methods +11

Performance of triazole derivatives as potential corrosion in-hibitors for mild steel in a strong phosphoric acid medium: Combining experimental and computational (DFT, MDs & QSAR) approaches

M.E. Belghiti, F. Benhiba, N. Benzbiria et al. · Journal of Molecular Structure · 2022 · 53 citations

Materials Science, Inorganic Chemistry, Materials Engineering +11

2D‐QSAR and molecular docking studies of carbamate derivatives to discover novel potent anti‐butyrylcholinesterase agents for Alzheimer's disease treatment

Hassan Nour, Oussama Abchır, Faizan Abul Qais et al. · Bulletin of the Korean Chemical Society · 2021 · 47 citations

Total Energy, Pharmaceutical Science, Disease Treatment +19

Theoretical study of photovoltaic performances of Ru, Rh and Ir half sandwich complexes containing N,N chelating ligands in Dye-Sensitized Solar Cells (DSSCs). DFT and TD-DFT investigation

Said Kerraj, Mohammed Salah, Samir Chtita et al. · Computational and Theoretical Chemistry · 2022 · 43 citations

Materials Science, Inorganic Chemistry, Theoretical Study +9