TY - JOUR
T1 - Synthesis and evaluation of heterocycle structures as potential inhibitors of Mycobacterium tuberculosis UGM
AU - Maaliki, Carine
AU - Fu, Jian
AU - Villaume, Sydney
AU - Viljoen, Albertus
AU - Raynaud, Clément
AU - Hammoud, Sokaina
AU - Thibonnet, Jérôme
AU - Kremer, Laurent
AU - Vincent, Stéphane P.
AU - Thiery, Emilie
N1 - Funding Information:
This study was supported by the Fondation pour la Recherche Médicale (grant DEQ20150331719 to L.K.), the Association Gregory Lemarchal and Vaincre la Mucoviscidose (grant RIF20180502320 to C.R.) The University of Namur (PhD grant to SV) and China Scholarship Council (PhD grant to JF). We acknowledge the French Ministry for Research and Innovation for the financial support and Dr. Frédéric Montigny (Analysis Department, Tours University) for HRMS.
Publisher Copyright:
© 2020 Elsevier Ltd
PY - 2020/7/1
Y1 - 2020/7/1
N2 - 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.
AB - 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.
KW - Docking
KW - Heterocycles
KW - Inhibitor
KW - Mycobacterium tuberculosis
KW - UDP-galactopyranose mutase
UR - http://www.scopus.com/inward/record.url?scp=85086003618&partnerID=8YFLogxK
U2 - 10.1016/j.bmc.2020.115579
DO - 10.1016/j.bmc.2020.115579
M3 - Article
C2 - 32546296
AN - SCOPUS:85086003618
SN - 0968-0896
VL - 28
JO - Bioorganic and Medicinal Chemistry
JF - Bioorganic and Medicinal Chemistry
IS - 13
M1 - 115579
ER -