Title : Phytocompounds as potential inhibitors of SARS-CoV-2 Mpro and PLpro through computational studies.

Pub. Date : 2022 May

PMID : 35233172






1 Functional Relationships(s)
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1 Based on binding affinity, dynamics behavior, and binding free energies, the present study identifies pentaoxahexacyclo-dotriacontanonaen-trihydroxybenzoate derivative (PDT), rutin, and dihyroxy-oxan-phenyl-chromen-4-one derivative (DOC), luteolin-7-glucoside-4"-neohesperidoside as promising inhibitors of SARS-CoV-2 Mpro and PLpro, respectively. Rutin NEWENTRY Severe acute respiratory syndrome-related coronavirus