《ChemRxiv，3月5日，Insight Derived from Molecular Docking and Molecular Dynamics Simulations into the Binding Interactions Between HIV-1 Protease Inhibitors and SARS-CoV-2 3CLpro》

• 来源专题：COVID-19科研动态监测
• 编译者： zhangmin
• 发布时间：2020-03-05
• 原文来源：https://chemrxiv.org/articles/Insight_Derived_from_Molecular_Docking_and_Molecular_Dynamics_Simulations_into_the_Binding_Interactions_Between_HIV-1_Protease_Inhibitors_and_SARS-CoV-2_3CLpro/11932995

Insight Derived from Molecular Docking and Molecular Dynamics Simulations into the Binding Interactions Between HIV-1 Protease Inhibitors and SARS-CoV-2 3CLpro

Preprint submitted on 04.03.2020, 23:28 and posted on 05.03.2020, 14:19 by peng sang Shuhui Tian Zhaohui Meng Liquan Yang

A novel severe acute respiratory syndrome coronavirus (SARS-CoV-2) was identified from respiratory illness patients in Wuhan, Hubei Province, China, which has recently emerged as a serious threat to the world public health. Hower, no approved drugs have been found to effectively inhibit the virus. Since it has been reported that the HIV-1 protease inhibitors can be used as anti-SARS drugs by tegarting SARS-CoV 3CLpro, we choose six approved anti-HIV-1 drugs to investigate their binding interactions between 3CLpro, and to evaluate their potential to become clinical drugs for the new coronavirus pneumonia (COVID19) caused by SARS-CoV-2 infection.

*注，本文为预印本论文手稿，是未经同行评审的初步报告，其观点仅供科研同行交流，并不是结论性内容，请使用者谨慎使用.