Docking and Electronic Structure of Rutin, Myricetin, and Baicalein Targeting 3CLpro

Understanding the role of 3CLpro protease for SARS-CoV-2 replication and knowing the potential of flavonoid molecules like rutin, myricetin, and baicalein against 3CLpro justify an investigation into their inhibition. This study investigates possible bonds and reactivity descriptors of rutin, myrice...

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Detalles Bibliográficos
Autores principales: Farias, Sergio A. de S., Rocha, Kelvyn M. L., Nascimento, Érica C. M., de Jesus, Rafael do C. C., Neres, Paulo R., Martins, João B. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10606270/
https://www.ncbi.nlm.nih.gov/pubmed/37894797
http://dx.doi.org/10.3390/ijms242015113

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10606270/
https://www.ncbi.nlm.nih.gov/pubmed/37894797
http://dx.doi.org/10.3390/ijms242015113

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