Document Detail


(+/-)-(1S,2R,5S)-5-Amino-2-fluorocyclohex-3-enecarboxylic acid. A potent GABA aminotransferase inactivator that irreversibly inhibits via an elimination-aromatization pathway.
MedLine Citation:
PMID:  17128990     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Inhibition of gamma-aminobutyric acid aminotransferase (GABA-AT) increases the concentration of GABA, an inhibitory neurotransmitter in human brain, which could have therapeutic applications for a variety of neurological diseases, including epilepsy. On the basis of studies of several previously synthesized conformationally restricted GABA-AT inhibitors, (+/-)-(1S,2R,5S)-5-amino-2-fluorocyclohex-3-enecarboxylic acid (12) was designed as a mechanism-based inactivator. This compound was shown to irreversibly inhibit GABA-AT; substrate protects the enzyme from inactivation. Mechanistic experiments demonstrated the loss of one fluoride ion per active site during inactivation and the formation of N-m-carboxyphenylpyridoxamine 5'-phosphate (26), the same product generated by inactivation of GABA-AT by gabaculine (8). An elimination-aromatization mechanism is proposed to account for these results.
Authors:
Zhiyong Wang; Hai Yuan; Dejan Nikolic; Richard B Van Breemen; Richard B Silverman
Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural    
Journal Detail:
Title:  Biochemistry     Volume:  45     ISSN:  0006-2960     ISO Abbreviation:  Biochemistry     Publication Date:  2006 Dec 
Date Detail:
Created Date:  2006-11-28     Completed Date:  2007-01-18     Revised Date:  2010-09-20    
Medline Journal Info:
Nlm Unique ID:  0370623     Medline TA:  Biochemistry     Country:  United States    
Other Details:
Languages:  eng     Pagination:  14513-22     Citation Subset:  IM    
Affiliation:
Department of Chemistry, Center for Drug Discovery and Chemical Biology, Northwestern University, Evanston, Illinois 60208-3113, USA.
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MeSH Terms
Descriptor/Qualifier:
4-Aminobutyrate Transaminase / antagonists & inhibitors*,  metabolism*
Amino Acids, Cyclic / chemical synthesis*,  chemistry,  pharmacology*
Chromatography, High Pressure Liquid
Cyclohexanecarboxylic Acids / chemical synthesis*,  chemistry,  pharmacology*
Enzyme Activation / drug effects
Enzyme Inhibitors / chemical synthesis*,  chemistry,  pharmacology*
Fluorine / chemistry,  metabolism
Molecular Structure
gamma-Aminobutyric Acid / analogs & derivatives,  metabolism
Grant Support
ID/Acronym/Agency:
GM66132/GM/NIGMS NIH HHS; R01 GM066132-01A2/GM/NIGMS NIH HHS; R01 GM066132-02/GM/NIGMS NIH HHS
Chemical
Reg. No./Substance:
0/5-amino-2-fluorocyclohex-3-enecarboxylic acid; 0/Amino Acids, Cyclic; 0/Cyclohexanecarboxylic Acids; 0/Enzyme Inhibitors; 56-12-2/gamma-Aminobutyric Acid; 7782-41-4/Fluorine; EC 2.6.1.19/4-Aminobutyrate Transaminase
Comments/Corrections

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