Working Paper Article Version 1 This version is not peer-reviewed

Virtual Screening of Approved Clinic Drugs with Main Protease (3CLpro) Reveals Potential Inhibitory Effects on SARS-CoV-2

Version 1 : Received: 7 March 2020 / Approved: 8 March 2020 / Online: 8 March 2020 (17:14:57 CET)

A peer-reviewed article of this Preprint also exists.

Journal reference: Journal of Biomolecular Structure and Dynamics 2020
DOI: 10.1080/07391102.2020.1817786


3CLpro is the main protease of the novel coronavirus (SARS-CoV-2) responsible for their intracellular duplication. Based on virtual screening technology, we found 23 approved clinical drugs such as Carfilzomib, Saquinavir, Thymopentin and etc., which showed high affinity with the 3CLpro active sites. These findings suggest that 3CLpro inhibitors might be potential candidates for further activity detection and molecular modification.


SARS-CoV-2; 3CLpro; approved drugs; virtual screening



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