Molecular binding studies of anthocyanins with multiple antiviral activities against SARS-CoV-2

Burki TK(2020)Coronavirus in China Lancet Respir Med 8 238-355

Castro-Acosta ML(2016)Berries and anthocyanins: promising functional food ingredients with postprandial glycaemia-lowering effects Proc Nutr Soc 75 342-13

Lenihan-Geels GN(2017)SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules Sci Rep 7 1-6183

Corpe CP(2021)Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: an in-silico perspective of therapeutic targets against COVID-19 pandemic J Biomol Struct Dyn 39 6171-1642

Hall WL(2004)Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase J Biol Chem 279 1637-1749

Daina A(2004)Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy J Med Chem 47 1739-389

Michielin O(2009)Identifying and characterizing binding sites and assessing druggability J Chem Inf Model 49 377-670

Zoete V(2008)New era in drug interaction evaluation: US Food and Drug Administration update on CYP enzymes, transporters, and the guidance process J Clin Pharmacol 48 662-151

Fakhar Z(2020)Structure of Mpro from COVID-19 virus and discovery of its inhibitors bioRxiv 35 145-220

Faramarzi B(2020)Inhibition of SARS-CoV 3CL protease by flavonoids J Enzyme Inhib Med Chem 581 215-574

Burki TK(2020)Coronavirus in China Lancet Respir Med 8 238-355

Castro-Acosta ML(2016)Berries and anthocyanins: promising functional food ingredients with postprandial glycaemia-lowering effects Proc Nutr Soc 75 342-13

Lenihan-Geels GN(2017)SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules Sci Rep 7 1-6183

Corpe CP(2021)Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: an in-silico perspective of therapeutic targets against COVID-19 pandemic J Biomol Struct Dyn 39 6171-1642

Hall WL(2004)Biosynthesis, purification, and substrate specificity of severe acute respiratory syndrome coronavirus 3C-like proteinase J Biol Chem 279 1637-1749

Daina A(2004)Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy J Med Chem 47 1739-389

Michielin O(2009)Identifying and characterizing binding sites and assessing druggability J Chem Inf Model 49 377-670

Zoete V(2008)New era in drug interaction evaluation: US Food and Drug Administration update on CYP enzymes, transporters, and the guidance process J Clin Pharmacol 48 662-151

Fakhar Z(2020)Structure of Mpro from COVID-19 virus and discovery of its inhibitors bioRxiv 35 145-220

Faramarzi B(2020)Inhibition of SARS-CoV 3CL protease by flavonoids J Enzyme Inhib Med Chem 581 215-574