Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CLpro of 2019-nCoV than monomeric anthocyanins: A structural-relationship activity study with 10 anthocyanins using in-silico approaches
Graphical abstract
Keywords
COVID-19
Anthocyanins
Protease
Molecular docking
Structural-relationship effects
Abbreviations
COVID-19
Coronavirus epidemic 2019
2019-nCoV
Novel coronavirus
MOE 09
Molecular Operating Environment
3CLpro
Papain-like protease
MD
Molecular dynamic simulations
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