Synthesis and evaluation of heterocycle structures as potential inhibitors of Mycobacterium tuberculosis UGM.
4-Butyrolactone
/ analogs & derivatives
Antitubercular Agents
/ chemical synthesis
Drug Evaluation, Preclinical
Enzyme Inhibitors
/ chemical synthesis
Humans
Indoles
/ chemical synthesis
Intramolecular Transferases
/ antagonists & inhibitors
Microbial Sensitivity Tests
Molecular Docking Simulation
Molecular Structure
Mycobacterium tuberculosis
/ drug effects
Protein Binding
Tuberculosis
/ drug therapy
Docking
Heterocycles
Inhibitor
Mycobacterium tuberculosis
UDP-galactopyranose mutase
Journal
Bioorganic & medicinal chemistry
ISSN: 1464-3391
Titre abrégé: Bioorg Med Chem
Pays: England
ID NLM: 9413298
Informations de publication
Date de publication:
01 07 2020
01 07 2020
Historique:
received:
27
03
2020
revised:
26
05
2020
accepted:
29
05
2020
entrez:
18
6
2020
pubmed:
18
6
2020
medline:
24
3
2021
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 32546296
pii: S0968-0896(20)30409-0
doi: 10.1016/j.bmc.2020.115579
pii:
doi:
Substances chimiques
Antitubercular Agents
0
Enzyme Inhibitors
0
Indoles
0
butenolide
8KXK25H388
Intramolecular Transferases
EC 5.4.-
UDP-galactopyranose mutase
EC 5.4.99.9
4-Butyrolactone
OL659KIY4X
Types de publication
Journal Article
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
115579Informations de copyright
Copyright © 2020 Elsevier Ltd. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.