Discovery of small molecule PLpro inhibitor against COVID-19 using structure-based virtual screening, molecular dynamics simulation, and molecular mechanics/Generalized Born surface area (MM/GBSA) calculation

COVID-19 is spreading in a global pandemic that is endangering human life and health. Therefore, there is an urgent need to target COVID-19 to find effective treatments for this emerging acute respiratory infection. Viral Papain-Like cysteine protease (PLpro), similar to papain and the cysteine deub...

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Detalles Bibliográficos
Autores principales: Pang, Jie, Gao, Shan, Sun, Zengxian, Yang, Guangsheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2020
Materias:
Original Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7578240/
https://www.ncbi.nlm.nih.gov/pubmed/33106741
http://dx.doi.org/10.1007/s11224-020-01665-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7578240/
https://www.ncbi.nlm.nih.gov/pubmed/33106741
http://dx.doi.org/10.1007/s11224-020-01665-y

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