Khaled M. Darwish

Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor

Ahmed A. Al‐Karmalawy, Mohammed A. Dahab, Ahmed M. Metwaly et al. · Frontiers in Chemistry · 2021 · 261 citations · Full text

Calendulaglycoside A showing potential activity against SARS-CoV-2 main protease: Molecular docking, molecular dynamics, and SAR studies

Ahmed A. Zaki, Ahmed Ashour, Sameh S. Elhady et al. · Journal of Traditional and Complementary Medicine · 2021 · 102 citations · Full text

Investigating the structure–activity relationship of marine natural polyketides as promising SARS-CoV-2 main protease inhibitors

Amr El‐Demerdash, Ahmed A. Al‐Karmalawy, Tarek Mohamed Abd El‐Aziz et al. · RSC Advances · 2021 · 79 citations · Full text

In Silico and In Vitro Studies for Benzimidazole Anthelmintics Repurposing as VEGFR-2 Antagonists: Novel Mebendazole-Loaded Mixed Micelles with Enhanced Dissolution and Anticancer Activity

Ayman Abo Elmaaty, Khaled M. Darwish, Amani Chrouda et al. · ACS Omega · 2021 · 78 citations · Full text

In a search for potential drug candidates for combating COVID-19: computational study revealed salvianolic acid B as a potential therapeutic targeting 3CLpro and spike proteins

Ayman Abo Elmaaty, Khaled M. Darwish, Muhammad Khattab et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 73 citations · Full text