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Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism
- Source :
- Bioorganic & Medicinal Chemistry. 21:4011-4019
- Publication Year :
- 2013
- Publisher :
- Elsevier BV, 2013.
-
Abstract
- Keap1 binds to the Nrf2 transcription factor to promote its degradation, resulting in the loss of gene products that protect against oxidative stress. While cell-active small molecules have been identified that modify cysteines in Keap1 and effect the Nrf2 dependent pathway, few act through a non-covalent mechanism. We have identified and characterized several small molecule compounds that specifically bind to the Keap1 Kelch-DC domain as measured by NMR, native mass spectrometry and X-ray crystallography. One compound upregulates Nrf2 response genes measured by a luciferase cell reporter assay. The non-covalent inhibition strategy presents a reasonable course of action to avoid toxic side-effects due to non-specific cysteine modification.
- Subjects :
- Spectrometry, Mass, Electrospray Ionization
NF-E2-Related Factor 2
Clinical Biochemistry
Pharmaceutical Science
Crystallography, X-Ray
Biochemistry
Small Molecule Libraries
Structure-Activity Relationship
Transcription (biology)
Drug Discovery
Luciferase
Molecular Biology
Transcription factor
Reporter gene
Kelch-Like ECH-Associated Protein 1
Chemistry
Organic Chemistry
Intracellular Signaling Peptides and Proteins
KEAP1
Small molecule
Protein Structure, Tertiary
Biophysics
Thermodynamics
Molecular Medicine
Carrier Proteins
Protein Binding
Cysteine
Subjects
Details
- ISSN :
- 09680896
- Volume :
- 21
- Database :
- OpenAIRE
- Journal :
- Bioorganic & Medicinal Chemistry
- Accession number :
- edsair.doi.dedup.....a072bbcacd3d6aff3b75021f90ae50a6
- Full Text :
- https://doi.org/10.1016/j.bmc.2013.04.019