Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors

Targeted covalent inhibition represents one possible strategy to block the function of SARS-CoV-2 Main Protease (M(PRO)), an enzyme that plays a critical role in the replication of the novel SARS-CoV-2. Toward the design of covalent inhibitors, we built a covalent inhibitor dataset using deep learni...

Descripción completa

Detalles Bibliográficos
Autores principales: Kim, Hoshin, Hauner, Darin, Laureanti, Joseph A., Agustin, Kruel, Raugei, Simone, Kumar, Neeraj
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722715/
https://www.ncbi.nlm.nih.gov/pubmed/36470873
http://dx.doi.org/10.1038/s41598-022-23570-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722715/
https://www.ncbi.nlm.nih.gov/pubmed/36470873
http://dx.doi.org/10.1038/s41598-022-23570-6

Ejemplares similares