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New insight into structure-activity of furan-based salicylate synthase (MbtI) inhibitors as potential antitubercular agents
- Source :
- Journal of Enzyme Inhibition and Medicinal Chemistry, Journal of Enzyme Inhibition and Medicinal Chemistry, Informa Healthcare, 2019, 34 (1), pp.823-828. ⟨10.1080/14756366.2019.1589462⟩, Journal of Enzyme Inhibition and Medicinal Chemistry, 2019, 34 (1), pp.823-828. ⟨10.1080/14756366.2019.1589462⟩, Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 34, Iss 1, Pp 823-828 (2019)
- Publication Year :
- 2019
-
Abstract
- Starting from the analysis of the hypothetical binding mode of our previous furan-based hit (I), we successfully achieved our objective to replace the nitro moiety, leading to the disclosure of a new lead exhibiting a strong activity against MbtI. Our best candidate 1 h displayed a Ki of 8.8 µM and its antimycobacterial activity (MIC99 = 250 µM) is conceivably related to mycobactin biosynthesis inhibition. These results support the hypothesis that 5-phenylfuran-2-carboxylic derivatives are a promising class of MbtI inhibitors.<br />GRAPHICAL ABSTRACT
- Subjects :
- MESH: Mycobacterium bovis
drug design
[PHYS.PHYS.PHYS-BIO-PH]Physics [physics]/Physics [physics]/Biological Physics [physics.bio-ph]
Short Communication
mycobactins
Antitubercular Agents
Lyases
Settore BIO/11 - Biologia Molecolare
[SDV.BC]Life Sciences [q-bio]/Cellular Biology
Microbial Sensitivity Tests
Structure-Activity Relationship
MESH: Structure-Activity Relationship
MESH: Molecular Docking Simulation
[CHIM.CRIS]Chemical Sciences/Cristallography
antimycobacterial agent
Tuberculosis
[SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology
Enzyme Inhibitors
Furans
molecular modelling
siderophores
Binding Sites
Molecular Docking Simulation
Mycobacterium bovis
Pharmacology
Drug Discovery3003 Pharmaceutical Science
MESH: Microbial Sensitivity Tests
[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Structural Biology [q-bio.BM]
lcsh:RM1-950
MESH: Furans
MESH: Antitubercular Agents
MESH: Lyases
lcsh:Therapeutics. Pharmacology
MESH: Binding Sites
MESH: Enzyme Inhibitors
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM]
Subjects
Details
- ISSN :
- 14756374 and 14756366
- Volume :
- 34
- Issue :
- 1
- Database :
- OpenAIRE
- Journal :
- Journal of enzyme inhibition and medicinal chemistry
- Accession number :
- edsair.pmid.dedup....819ebdb9e7fca741cbabce2b348c7a91
- Full Text :
- https://doi.org/10.1080/14756366.2019.1589462⟩