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

A novel coronavirus disease (COVID-19) caused by SARS-CoV2 has now spread globally. Replication/transcription machinery of this virus consists of RNA-dependent RNA polymerase (nsp12 or RdRp) and its two cofactors nsp7 and nsp8 proteins. Hence, RdRp has emerged as a promising target to control COVID-...

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Bibliographic Details
Main Author:	Tiwari, V. (Author)
Format:	Article
Language:	English
Published:	Elsevier B.V. 2021
Subjects:	1 [4 [(4a hydroxy decahydroisoquinolin 2 yl)methyl] 2 aminophenyl] 2 minoethyl n [3 cyclopropylimidazo[1,5 a]pyridin 1 yl]carbamate antiviral activity Antiviral Agents antivirus agent Article ascorbic acid binding affinity binding site Binding Sites catalysis chemistry computer model coronavirus disease 2019 Coronavirus RNA-Dependent RNA Polymerase COVID-19 Denovo designed antiviral drug approval drug design Drug Design drug protein binding drug screening drug structure drug synthesis enzyme active site enzyme inhibition enzyme inhibitor Enzyme Inhibitors enzyme structure enzymology favipiravir Food and Drug Administration human Humans hydroxychloroquine molecular docking molecular dynamics Molecular dynamics simulation Molecular Dynamics Simulation nonhuman NSP12 protein, SARS-CoV-2 oseltamivir protein domain Protein Domains protein targeting remdesivir Retrosynthetic analysis ribavirin ritonavir RNA directed RNA polymerase RNA-dependent RNA polymerase (RdRp) SARS-CoV2 SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 synthesis tenofovir umifenovir unclassified drug viral protein VTRM1.1 protein
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Denovo designing, retro-combinatorial synthesis, and molecular dynamics analysis identify novel antiviral VTRM1.1 against RNA-dependent RNA polymerase of SARS CoV2 virus

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