Reda El-Mernissi

In silico design of novel Pyrazole derivatives containing thiourea skeleton as anti-cancer agents using: 3D QSAR, Drug-Likeness studies, ADMET prediction and molecular docking

Abdellah El Aissouq, Rania Kasmi, Assia Belhassan et al. · Materials Today Proceedings · 2021 · 45 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Prediction of potential inhibitors of SARS-CoV-2 using 3D-QSAR, molecular docking modeling and ADMET properties

Ayoub Khaldan, Soukaina Bouamrane, Fatima En-Nahli et al. · Heliyon · 2021 · 32 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Rational design of novel potential EGFR inhibitors by 3D-QSAR, molecular docking, molecular dynamics simulation, and pharmacokinetics studies

Khalil El Khatabi, Reda El-Mernissi, Youness Moukhliss et al. · Chemical Data Collections · 2022 · 31 citations

Pharmacy, Medicinal Chemistry, Pharmacokinetics +17

3D-QSAR study, docking molecular and simulation dynamic on series of benzimidazole derivatives as anti-cancer agents

Kamal Tabti, Rania Kasmi, Reda El-Mernissi et al. · Journal of the Indian Chemical Society · 2022 · 30 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Identification of novel acetylcholinesterase inhibitors through 3D-QSAR, molecular docking, and molecular dynamics simulation targeting Alzheimer’s disease

Khalil El Khatabi, Reda El-Mernissi, Ilham Aanouz et al. · Journal of Molecular Modeling · 2021 · 25 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17