Journal
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
Volume 25, Issue 4, Pages 373-376Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/07391102.2008.10507185
Keywords
homology modeling; rifamycins; mycobacterium tuberculosis RNA polymerase; docking
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Rifamicyns (Rifs) are antibiotic widely used for the treatment of tuberculosis (TB); nevertheless, their efficacy has been limited by a high percentage of mutations, principally in the rpoB gene. In this work, the first three-dimensional molecular model of the hypothetical structures for the wild-type and D516V and H526L mutants of Mycobacterium tuberculosis (mtRNAP) were elucidated by a homology modeling method. In addition, the orientations and binding affinities of some Rifs with those new structures were investigated. Our findings could be helpful for the design of new more potent rifamycin analogs.
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