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J Med Chem. 2008 Nov 13;51(21):6627-30. doi: 10.1021/jm800571m. Epub 2008 Oct 15.

Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors.

Author information

1
Department of Molecular Biology, The Scripps Research Institute, 10550 North Torrey Pines Road, La Jolla, California 92037, USA.

Abstract

Tuberculosis is among the world's deadliest infectious diseases. APS reductase catalyzes the first committed step in bacterial sulfate reduction and is a validated drug target against latent tuberculosis infection. We performed a virtual screening to identify APSR inhibitors. These inhibitors represent the first non-phosphate-based molecules to inhibit APSR. Common chemical features lay the foundation for the development of agents that could shorten the duration of chemotherapy by targeting the latent stage of TB infection.

PMID:
18855373
PMCID:
PMC2639213
DOI:
10.1021/jm800571m
[Indexed for MEDLINE]
Free PMC Article

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