2. Academic Validation
  3. Rational drug design based synthesis of novel arylquinolines as anti-tuberculosis agents

Rational drug design based synthesis of novel arylquinolines as anti-tuberculosis agents

  • Bioorg Med Chem Lett. 2013 Nov 15;23(22):6097-105. doi: 10.1016/j.bmcl.2013.09.027.
Puneet P Jain 1,  Mariam S Degani,  Archana Raju,  Muktikanta Ray,  M G R Rajan
Affiliations

Affiliation

  • 1 Institute of Chemical Technology, Nathalal Parekh Marg, Matunga, Mumbai 400019, India.
PMID: 24095091 DOI: 10.1016/j.bmcl.2013.09.027
Abstract

A series of novel arylquinoline derivatives was designed retaining significant pharmacophoric features and three dimensional geometry of bedaquiline. In silico ADME study was performed to assess drug likeness and toxicity profiles of the designed molecules. The compounds were evaluated for activity against Mycobacterium tuberculosis H37Rv using Resazurin Microtitre Assay (REMA) plate method and cytotoxicity in VERO C1008 cell line. Several of the synthesized compounds exhibited good antituberculosis activity and selectivity, especially compounds, 12i (MIC: 5.18 μM and MIC/CC50: 152.86) and 12l (MIC: 5.59 μM and MIC/CC50: 160.57). The study opens up a new platform for the development of arylquinoline based drugs for treating tuberculosis.

Keywords

ATP synthase; Arylquinoline; Bedaquiline; Mycobacterium tuberculosis.

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