Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors.

Alicia Jiménez-Alberto,Rosa María Ribas-Aparicio,Gerardo Aparicio-Ozores,Juan A Castelán-Vega

Computational Biology and Chemistry（2020）

引用 66|浏览8

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摘要

•The main protease of SARS-CoV-2 has a highly flexible active site.•Drug repurposing is a treatment opportunity in the current COVID-19 pandemic.•Nine drugs merit testing as inhibitors of the SARS-CoV-2 main protease.

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关键词

Mpro,SARS-CoV-2,COVID-19,Docking,Molecular dynamics simulation

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