Design and Development of Mycobacterium tuberculosis Lysine ɛ-Aminotransferase Inhibitors for Latent Tuberculosis Infection

Chem Biol Drug Des. 2016 Feb;87(2):265-74. doi: 10.1111/cbdd.12655. Epub 2015 Oct 7.

Abstract

Lysine ɛ-aminotransferase (LAT) is a protein involved in lysine catabolism, and it plays a significant role during the persistent/latent phase of Mycobacterium tuberculosis (MTB), as observed by its up-regulation by ~40-fold during this stage. We have used the crystal structure of MTB LAT in external aldimine form in complex with its substrate lysine as a template to design and identify seven lead compounds with IC50 ranging from 18.06 to > 90 μm. We have synthesized 21 compounds based on the identified lead, and compound 21 [2,2'-oxybis(N'-(4-fluorobenzylidene)acetohydrazide)] was found to be the most active with MTB LAT IC50 of 0.81 ± 0.03 μm. Compound 21 also showed a 2.3 log reduction in the nutrient-starved MTB model and was more potent than standard isoniazid and rifampicin at the same dose level of 10 μg/mL.

Keywords: Mycobacterium tuberculosis; Tuberculosis; antimycobacterial; lysine ɛ-aminotransferase.

Publication types

  • Letter
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antitubercular Agents / chemistry*
  • Antitubercular Agents / therapeutic use
  • Bacterial Proteins / antagonists & inhibitors*
  • Bacterial Proteins / metabolism
  • Binding Sites
  • Catalytic Domain
  • Drug Design*
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / therapeutic use
  • Hydrogen Bonding
  • Inhibitory Concentration 50
  • L-Lysine 6-Transaminase / antagonists & inhibitors*
  • L-Lysine 6-Transaminase / metabolism
  • Latent Tuberculosis / drug therapy
  • Molecular Docking Simulation
  • Mycobacterium tuberculosis / enzymology*

Substances

  • Antitubercular Agents
  • Bacterial Proteins
  • Enzyme Inhibitors
  • L-Lysine 6-Transaminase