Ontology highlight
ABSTRACT:
SUBMITTER: Whalen KL
PROVIDER: S-EPMC2903749 | biostudies-literature | 2010 Apr
REPOSITORIES: biostudies-literature
Whalen Katie L KL Pankow Katherine L KL Blanke Steven R SR Spies M Ashley MA
ACS medicinal chemistry letters 20100401 1
Glutamate racemase is an attractive antimicrobial drug target. Virtual screening using a transition-state conformation of the enzyme resulted in the discovery of several μM competitive inhibitors, dissimilar from current amino acid-like inhibitors, providing novel scaffolds for drug discovery. The most effective of these competitive inhibitors possesses a very high ligand efficiency value of -0.6 kcal/mol/heavy atom, and is effective against three distinct glutamate racemases representing two sp ...[more]