Computational investigation of novel synthetic analogs of C-1′β substituted remdesivir against RNA-dependent RNA-polymerase of SARS-CoV-2

Remdesivir, a C-nucleotide prodrug binds to the viral RNA-dependent-RNA polymerase (RdRp) and inhibits the viral replication by terminating RNA transcription prematurely. It is reported in literature that interaction between the C-1’β–CN moiety of Remdesivir (RDV) and the Ser861 residue in RdRp enzy...

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Autori principali:	Savio Cardoza, Anirudh Singh, Souvik Sur, Mintu Singh, Kshatresh D. Dubey, Sintu Kumar Samanta, Ajay Mandal, Vibha Tandon
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	Elsevier 2024-09-01
Serie:	Heliyon
Soggetti:	Remdesivir analogs Molecular docking MD simulations
Accesso online:	http://www.sciencedirect.com/science/article/pii/S2405844024128174
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