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Investigation of structural analogs of hydroxychloroquine for SARS-CoV-2 main protease (Mpro): A computational drug discovery study

The main protease (Mpro) is the key enzyme of nCOVID-19 and plays a decisive role that makes it an attractive drug target. Multiple analysis of crystal structures reveals the presence of W1, W2, and W3 water locations in the active site pocket of Mpro; W1 and W2 are unstable and are weakly bonded wi...

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Detalles Bibliográficos
Autores principales:	Reyaz, Saima, Tasneem, Alvea, Rai, Gyan Prakash, Bairagya, Hridoy R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Inc. 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8426616/ https://www.ncbi.nlm.nih.gov/pubmed/34537554 http://dx.doi.org/10.1016/j.jmgm.2021.108021

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