2. Academic Validation
  3. Pharmacophore-based virtual screening: the discovery of novel methionyl-tRNA synthetase inhibitors

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

  • Bioorg Med Chem Lett. 2006 Sep 15;16(18):4898-907. doi: 10.1016/j.bmcl.2006.06.057.
Su Yeon Kim 1,  Yeon-Sook Lee,  Taehee Kang,  Sunghoon Kim,  Jeewoo Lee
Affiliations

Affiliation

  • 1 Laboratory of Medicinal Chemistry, Research Institute of Pharmaceutical Sciences, College of Pharmacy, Seoul National University, Shinlim-Dong, Kwanak-Ku, Seoul 151-742, Republic of Korea.
PMID: 16824759 DOI: 10.1016/j.bmcl.2006.06.057
Abstract

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.

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