2. Academic Validation
  3. Synthesis and evaluation of heterocycle structures as potential inhibitors of Mycobacterium tuberculosis UGM

Synthesis and evaluation of heterocycle structures as potential inhibitors of Mycobacterium tuberculosis UGM

  • Bioorg Med Chem. 2020 Jul 1;28(13):115579. doi: 10.1016/j.bmc.2020.115579.
Carine Maaliki 1,  Jian Fu 2,  Sydney Villaume 2,  Albertus Viljoen 3,  Clément Raynaud 3,  Sokaina Hammoud 1,  Jérôme Thibonnet 1,  Laurent Kremer 4,  Stéphane P Vincent 2,  Emilie Thiery 5
Affiliations

Affiliations

  • 1 Laboratoire Synthèse et Isolement de Molécules Bioactives (SIMBA, EA 7502), Université de Tours, Faculté de Pharmacie, Parc de Grandmont, 31 Avenue Monge, 37200 Tours, France.
  • 2 Department of Chemistry, University of Namur, Rue de Bruxelles 61, 5000 Namur, Belgium.
  • 3 Institut de Recherche en Infectiologie de Montpellier (IRIM), CNRS UMR 9004, Université de Montpellier, 34293 Montpellier, France.
  • 4 Institut de Recherche en Infectiologie de Montpellier (IRIM), CNRS UMR 9004, Université de Montpellier, 34293 Montpellier, France; INSERM, IRIM, 34293 Montpellier, France.
  • 5 Laboratoire Synthèse et Isolement de Molécules Bioactives (SIMBA, EA 7502), Université de Tours, Faculté de Pharmacie, Parc de Grandmont, 31 Avenue Monge, 37200 Tours, France. Electronic address: [email protected].
PMID: 32546296 DOI: 10.1016/j.bmc.2020.115579
Abstract

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.

Keywords

Docking; Heterocycles; Inhibitor; Mycobacterium tuberculosis; UDP-galactopyranose mutase.

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