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1,2,4 triazolo[1,5-a] pyrimidin-7-ones as novel SARS-CoV-2 Main protease inhibitors: In silico screening and molecular dynamics simulation of potential COVID-19 drug candidates

Discovery of a potent SARS-CoV-2 main protease (M(pro)) inhibitor is the need of the hour to combat COVID-19. A total of 1000 protease-inhibitor-like compounds available in the ZINC database were screened by molecular docking with SARS-CoV-2 M(pro) and the top 2 lead compounds based on binding affin...

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Detalles Bibliográficos
Autores principales:	Kavitha, Kuppuswamy, Sivakumar, Subramaniam, Ramesh, Balasubramanian
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V. 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7508019/ https://www.ncbi.nlm.nih.gov/pubmed/33022567 http://dx.doi.org/10.1016/j.bpc.2020.106478

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