Identification of antitubercular benzothiazinone compounds by ligand-based design

Karoli, Tomislav, Becker, Bernd, Zuegg, Johannes, Moellmann, Ute, Ramu, Soumya, Huang, Johnny X. and Cooper, Matthew A. (2012) Identification of antitubercular benzothiazinone compounds by ligand-based design. Journal of Medicinal Chemistry, 55 17: 7940-7944. doi:10.1021/jm3008882

Author Karoli, Tomislav
Becker, Bernd
Zuegg, Johannes
Moellmann, Ute
Ramu, Soumya
Huang, Johnny X.
Cooper, Matthew A.
Title Identification of antitubercular benzothiazinone compounds by ligand-based design
Journal name Journal of Medicinal Chemistry   Check publisher's open access policy
ISSN 0022-2623
Publication date 2012-09
Sub-type Article (original research)
DOI 10.1021/jm3008882
Volume 55
Issue 17
Start page 7940
End page 7944
Total pages 5
Place of publication Washington, DC, United States
Publisher American Chemical Society
Collection year 2013
Language eng
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.
Keyword Aqueous drug solubility
Microtiter plates
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: Official 2013 Collection
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