Quantum Biochemistry and MM-PBSA Description of the ZIKV NS2B-NS3 Protease: Insights into the Binding Interactions beyond the Catalytic Triad Pocket

The Zika virus protease NS2B-NS3 has a binding site formed with the participation of a H51-D75-S135 triad presenting two forms, active and inactive. Studies suggest that the inactive conformation is a good target for the design of inhibitors. In this paper, we evaluated the co-crystallized structure...

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Detalles Bibliográficos
Autores principales: de Paula Junior, Valdir Ferreira, van Tilburg, Mauricio Fraga, Morais, Pablo Abreu, Júnior, Francisco Franciné Maia, Lima, Elza Gadelha, Oliveira, Victor Tabosa dos Santos, Guedes, Maria Izabel Florindo, Caetano, Ewerton Wagner Santos, Freire, Valder Nogueira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9456192/
https://www.ncbi.nlm.nih.gov/pubmed/36077486
http://dx.doi.org/10.3390/ijms231710088

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9456192/
https://www.ncbi.nlm.nih.gov/pubmed/36077486
http://dx.doi.org/10.3390/ijms231710088

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