Title : Denovo designing, retro-combinatorial synthesis, and molecular dynamics analysis identify novel antiviral VTRM1.1 against RNA-dependent RNA polymerase of SARS CoV2 virus.

Pub. Date : 2021 Feb 28

PMID : 33421473






1 Functional Relationships(s)
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1 In-silico screening, molecular mechanics, molecular dynamics simulation (MDS) analysis suggest ribavirin, and remdesivir have good interaction with the binding site of the RdRp protein as compared to other antiviral investigated. remdesivir ORF1a polyprotein;ORF1ab polyprotein Severe acute respiratory syndrome coronavirus 2