Consensus Pharmacophore Strategy For Identifying Novel SARS-Cov-2 M Inhibitors from Large Chemical Libraries.

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main Protease (M) is an enzyme that cleaves viral polyproteins translated from the viral genome and is critical for viral replication. M is a target for anti-SARS-CoV-2 drug development, and multiple M crystals complexed with competitive inhibitors have been reported. In this study, we aimed to develop an M consensus pharmacophore as a tool to expand the search for inhibitors.

Diversity and Chemical Space Characterization of Inhibitors of the Epigenetic Target G9a: A Chemoinformatics Approach.

G9a is a histone-lysine methyltransferase that performs the mono- and dimethylation of lysine 9 at histone 3 of the nucleosome. It belongs to the SET PKMT family, and its methylations are related to promoter repression and activation. G9a is a promising epigenetic target.