ABSTRACT
The novel corona virus whose outbreak took place in December 2019 continues to spread at a rapid rate worldwide. The Main protease (Mpro) plays critical role in the SARS-CoV-2 life cycle through virus replication and transcription process making it as an attractive drug target. Herein, molecular docking study followed by drug-Likeness prediction, were performed in order to identify new potent Mpro inhibitors. Indeed, molecular docking of 1880 compounds into the Mpro active site reveals compounds S1 and S2 as promising inhibitors of this enzyme with binding energy of -39,22 KJ/mol, -36.27 KJ/mol respectively. These two compounds were also predicted to have satisfying drug likeness properties, indicating that they might be promising lead compounds for further anti-SARS CoV-2 drug research.Copyright © KESS All rights reserved.