Molecular docking, molecular dynamics, and in vitro studies reveal the potential of angiotensin II receptor blockers to inhibit the COVID-19 main protease - Alnajjar, Radwan; Mostafa, Ahmed; Kandeil, Ahmed; Al-Karmalawy, Ahmed A. (Heliyon, 2020)
Keywords: 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