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Design, synthesis and biological evaluation of 7-nitro-1H-indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase.
- Source :
-
Bioorganic & medicinal chemistry [Bioorg Med Chem] 2014 Mar 15; Vol. 22 (6), pp. 1850-62. Date of Electronic Publication: 2014 Feb 02. - Publication Year :
- 2014
-
Abstract
- A series of novel indole derivatives was synthesized as inhibitors of fructose-1,6-bisphosphatase (FBPase). Extensive structure-activity relationships were conducted and led to a potent FBPase inhibitor 3.9 with an IC₅₀ of 0.99 μM. The binding mode of this series of indoles was predicted using CDOCKER algorithm. The results of this research will shed light on the further design and optimization of novel small molecules as FBPase inhibitors.<br /> (Copyright © 2014 Elsevier Ltd. All rights reserved.)
- Subjects :
- Allosteric Regulation drug effects
Dose-Response Relationship, Drug
Enzyme Inhibitors chemical synthesis
Enzyme Inhibitors chemistry
Fructose-Bisphosphatase metabolism
Humans
Indoles chemical synthesis
Indoles chemistry
Molecular Structure
Recombinant Proteins metabolism
Structure-Activity Relationship
Drug Design
Enzyme Inhibitors pharmacology
Fructose-Bisphosphatase antagonists & inhibitors
Indoles pharmacology
Subjects
Details
- Language :
- English
- ISSN :
- 1464-3391
- Volume :
- 22
- Issue :
- 6
- Database :
- MEDLINE
- Journal :
- Bioorganic & medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 24530031
- Full Text :
- https://doi.org/10.1016/j.bmc.2014.01.047