Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking

The papain-like protease (PLpro) from zoonotic coronaviruses (CoVs) has been identified as a target with an essential role in viral respiratory diseases caused by Severe Acute Respiratory Syndrome-associated coronaviruses (SARS-CoVs). The design of PLpro inhibitors has been proposed as an alternativ...

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Detalles Bibliográficos
Autores principales: Castillo-Campos, Luis, Velázquez-Libera, José Luis, Caballero, Julio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2023
Materias:
Molecular Biosciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10326900/
https://www.ncbi.nlm.nih.gov/pubmed/37426421
http://dx.doi.org/10.3389/fmolb.2023.1215499

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10326900/
https://www.ncbi.nlm.nih.gov/pubmed/37426421
http://dx.doi.org/10.3389/fmolb.2023.1215499

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