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In this study, we screen three heterocyclic structures as potential inhibitors of UDP-galactopyranose mutase (UGM), an enzyme involved in the biosynthesis of the cell wall of Mycobacterium tuberculosis. In order to understand the binding mode, docking simulations are performed on the best inhibitors. Their activity on Mycobacterium tuberculosis is also evaluated. This study made it possible to highlight an "oxazepino-indole" structure as a new inhibitor of UGM and of M. tuberculosis growth in vitro. Copyright © 2020 Elsevier Ltd. All rights reserved.

Citation

Carine Maaliki, Jian Fu, Sydney Villaume, Albertus Viljoen, Clément Raynaud, Sokaina Hammoud, Jérôme Thibonnet, Laurent Kremer, Stéphane P Vincent, Emilie Thiery. Synthesis and evaluation of heterocycle structures as potential inhibitors of Mycobacterium tuberculosis UGM. Bioorganic & medicinal chemistry. 2020 Jul 01;28(13):115579

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PMID: 32546296

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