Pharmacophore-based virtual screening: The discovery of novel methionyl-tRNA synthetase inhibitors

We have performed virtual screening of a chemical database of 508,143 commercially available chemicals to search for new methionyl-tRNA synthetase (MetRS) inhibitors. In this study, potent lead compounds with a novel skeleton, including compound 27 with IC50 = 237 nM, were successfully identified as Escherichia coli MetRS inhibitors.

Graphical abstractVirtual screening of a chemical database of 508,143 commercially available chemicals was performed to search for new methionyl-tRNA synthetase (MetRS) inhibitors.Figure optionsDownload full-size imageDownload as PowerPoint slide