Author: Wu, Yifei; Pegan, Scott D.; Crich, David; Desrochers, Ellison; Starling, Edward B.; Hansen, Madelyn C.; Booth, Carson; Nicole Mullininx, Lauren; Lou, Lei; Chang, Kuan Y.; Xie, Zhong-Ru
Title: Polyphenols as Alternative Treatments of COVID-19 Cord-id: p12k2znh Document date: 2021_9_20
ID: p12k2znh
Snippet: Although scientists around the world have put lots of effort into the development of new treatments for COVID-19 since the outbreak, no drugs except Veklury (remdesivir) have been approved by FDA. There is an urgent need to discover some alternative antiviral treatment for COVID-19. Because polyphenols have been shown to possess antiviral activities, here we conducted a large-scale virtual screening for more than 400 polyphenols. Several lead compounds such as Petunidin 3-O-(6''-p-coumaroyl-gluc
Document: Although scientists around the world have put lots of effort into the development of new treatments for COVID-19 since the outbreak, no drugs except Veklury (remdesivir) have been approved by FDA. There is an urgent need to discover some alternative antiviral treatment for COVID-19. Because polyphenols have been shown to possess antiviral activities, here we conducted a large-scale virtual screening for more than 400 polyphenols. Several lead compounds such as Petunidin 3-O-(6''-p-coumaroyl-glucoside) were identified to have promising binding affinities and convincing binding mechanisms. Analyzing the docking results and ADME properties sheds light on the potential efficacy of the top-ranked drug candidates and pinpoints the key residues on the target proteins for the future of drug development.
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