Products/Services Used | Details | Operation |
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Bacterial Expression | … The recombinant M pro gene, encoding the WT enzyme, was introduced into the pET28b (+) bacterial expression vector by GenScript Inc. (Piscataway, NJ, USA). The Hisx6-tagged M … | Get A Quote |
The main protease enzyme (M) of SARS-CoV-2 is one of the most promising targets for COVID-19 treatment. Accordingly, in this work, a structure-based virtual screening of 3.8 million ligand libraries was carried out. After rigorous filtering, docking, and post screening assessments, 78 compounds were selected for biological evaluation, 3 of which showed promising inhibition of the M enzyme. The obtained hits (CB03, GR04, and GR20) had reasonable potencies with K values in the medium to high micromolar range. Interestingly, while our most potent hit, GR20, was suggested to act via a reversible covalent mechanism, GR04 was confirmed as a noncompetitive inhibitor that seems to be one of a kind when compared to the ... More