Molecular docking, molecular dynamics, and in vitro studies reveal the potential of angiotensin II receptor blockers to inhibit the COVID-19 main protease

• Published in: Heliyon Vol. 6; no. 12; p. e05641
• Main Authors: Alnajjar, Radwan, Mostafa, Ahmed, Kandeil, Ahmed, Al-Karmalawy, Ahmed A.
• Format: Journal Article
• Language: English
• Published: England Elsevier Ltd 01.12.2020; Elsevier
• Subjects: ARBs; Biological sciences; blood coagulation; Chemistry; Computer science; COVID-19; COVID-19 infection; Docking; Drug repurposing; fibrosis; Gibbs free energy; In vitro studies; inflammation; Materials science; MM-GBSA; molecular dynamics; pandemic; Physics; proteinases; pulmonary fibrosis; Severe acute respiratory syndrome coronavirus 2; structure-activity relationships; telmisartan; vasodilation; COVID-19; Computer science; Chemistry; MM-GBSA; MD; Drug repurposing; Docking; Materials science; In vitro studies; Biological sciences; ARBs; Physics

Drug repurposing is the most rapid and economic way nowadays to rapidly provide effective drugs for our pandemic coronavirus disease 2019 (COVID-19). It was a great debate about ARBs whether to be stopped or continued for patients using them especially at the beginning of the COVID-19 pandemic. In t...