Computational identification of disulfiram and neratinib as putative SARS-CoV-2 main protease inhibitors
Viktor S. Stroylov, Igor V. Svitanko · Mendeleev Communications · 2020
Identification of disulfiram and neratinib as putative covalent inhibitors of SARS-CoV-2 virus main protease M pro by a combination of ‘on-top docking’ procedure, expert evaluation of potential hits and molecular dynamics is reported herein. This finding shows the importance of further development of virtual screening add-ons.