Potential of Marine Terpenoids against SARS-CoV-2: An In Silico Drug Development Approach.

ABSTRACT: In an emergency, drug repurposing is the best alternative option against newly emerged severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection. However, several bioactive natural products have shown potential against SARS-CoV-2 in recent studies. The present study selected sixty-eight broad-spectrum antiviral marine terpenoids and performed molecular docking against two novel SARS-CoV-2 enzymes (main protease or M^pro or 3CL^pro) and RNA-dependent RNA polymerase (RdRp). In addition, the present study analysed the physiochemical-toxicity-pharmacokinetic profile, structural activity relationship, and phylogenetic tree with various computational tools to select the 'lead' candidate. The genomic diversity study with multiple sequence analyses and phylogenetic

SUBMITTER: Sahoo A 

PROVIDER: S-EPMC8614725 | biostudies-literature | 2021 Oct

REPOSITORIES: biostudies-literature