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J Med Chem. 2012 Sep 13;55(17):7940-4. doi: 10.1021/jm3008882. Epub 2012 Aug 31.

Identification of antitubercular benzothiazinone compounds by ligand-based design.

Author information

1
Institute for Molecular Bioscience, University of Queensland, St. Lucia, Queensland 4072, Australia.

Abstract

1,3-Benzothiazin-4-ones (BTZs) are a novel class of TB drug candidates with potent activity against M. tuberculosis. An in silico ligand-based model based on structure-activity data from 170 BTZ compounds was used to design a new series. Compounds were tested against a panel of mycobacterial strains and were profiled for cytotoxicity, stability, and antiproliferative effects. Several of the compounds showed improved activity against MDR-TB while retaining low toxicity with higher microsomal, metabolic, and plasma stability.

PMID:
22916795
DOI:
10.1021/jm3008882
[Indexed for MEDLINE]

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