Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design
Author:
Publisher
Elsevier BV
Subject
Computational Mathematics,Organic Chemistry,Biochemistry,Structural Biology
Reference27 articles.
1. New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays;Baell;J. Med. Chem.,2010
2. Navigating structure-activity landscapes;Bajorath;Drug Discov. Today,2009
3. Potential broad Spectrum inhibitors of the coronavirus 3CLpro: a virtual screening and structure-based drug design study;Berry;Viruses,2015
4. Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS;Capuzzi;J. Chem. Inf. Model.,2017
5. Prediction of the SARS-CoV-2 (2019-nCoV) 3C-like protease (3CL (pro)) structure: virtual screening reveals velpatasvir, ledipasvir, and other drug repurposing candidates;Chen;F1000Res,2020
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