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American Chemical Society, Journal of Medicinal Chemistry, 21(51), p. 6627-6630, 2008

DOI: 10.1021/jm800571m

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Structure-Based Virtual Screening and Biological Evaluation ofMycobacterium tuberculosisAdenosine 5′-Phosphosulfate Reductase Inhibitors

Journal article published in 2008 by Sandro Cosconati ORCID, Jiyoung A. Hong, Ettore Novellino, Kate S. Carroll, David S. Goodsell, Arthur J. Olson
This paper is available in a repository.
This paper is available in a repository.

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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 which could shorten the duration of chemotherapy by targeting the latent stage of TB infection.