Nada Alsakhen

In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular dynamic simulation and ADMET profiling

Assia Belhassan, Samir Chtita, Hanane Zaki et al. · Journal of Molecular Structure · 2022 · 68 citations · Full text

Medicinal Chemistry, Bioorganic Chemistry, Biochemistry +13

Camphor, Artemisinin and Sumac Phytochemicals as inhibitors against COVID-19: Computational approach

Assia Belhassan, Hanane Zaki, Samir Chtita et al. · Computers in Biology and Medicine · 2021 · 58 citations · Full text

Biochemistry, Medicine, Antiviral Drug Development +7

Molecular dynamics simulations and MM–PBSA calculations of the cyclodextrin inclusion complexes with 1-alkanols, para-substituted phenols and substituted imidazoles

Musa I. El‐Barghouthi, Carlos Jaime, Nada Alsakhen et al. · Journal of Molecular Structure THEOCHEM · 2007 · 29 citations

Engineering, Cyclodextrin Inclusion Complexes, Mm–pbsa Calculations +9

Computational approach investigation bioactive molecules from Saussurea Costus plant as SARS-CoV-2 main protease inhibitors using reverse docking, molecular dynamics simulation, and pharmacokinetic ADMET parameters

Halima Hajji, Marwa Alaqarbeh, Tahar Lakhlifi et al. · Computers in Biology and Medicine · 2022 · 26 citations · Full text

Saussurea Costus Plant, Biochemistry, Medicine +8

In silico identification of 1,2,4-triazoles as potential Candida Albicans inhibitors using 3D-QSAR, molecular docking, molecular dynamics simulations, and ADMET profiling

Soukaina Bouamrane, Ayoub Khaldan, Halima Hajji et al. · Molecular Diversity · 2022 · 24 citations

Molecular Docking, Medicinal Chemistry, Antifungal Agent +11