Virtual Screening and Quantum Chemistry Analysis for SARS-CoV-2 RNA-Dependent RNA Polymerase Using the ChEMBL Database: Reproduction of the Remdesivir-RTP and Favipiravir-RTP Binding Modes Obtained from Cryo-EM Experiments with High Binding Affinity

The novel coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), was identified as the pathogenic cause of coronavirus disease 2019 (COVID-19). The RNA-dependent RNA polymerase (RdRp) of SARS-CoV-2 is a potential target for the treatment of COVID-19. An RdRp complex:dsRNA structu...

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Detalles Bibliográficos
Autor principal: Tsuji, Motonori
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570209/
https://www.ncbi.nlm.nih.gov/pubmed/36232311
http://dx.doi.org/10.3390/ijms231911009

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9570209/
https://www.ncbi.nlm.nih.gov/pubmed/36232311
http://dx.doi.org/10.3390/ijms231911009

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