Design, Synthesis, and Structural Studies on Potent Biaryl Inhibitors of Type II Dehydroquinases

Filling the pocket: Biaryl inhibitors of type II dehydroquinase are described, designed to bind to both the active site and a subsidiary pocket. Compounds exhibited nanomolar inhibition of the enzyme, which is rationalised by molecular docking and protein crystallographic studies.

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Bibliographische Detailangaben
Veröffentlicht in:	ChemMedChem 2007-07, Vol.2 (7), p.1010-1013
Hauptverfasser:	Payne, Richard J., Riboldi-Tunnicliffe, Alan, Kerbarh, Olivier, Abell, Andrew D., Lapthorn, Adrian J., Abell, Chris
Format:	Artikel
Sprache:	eng
Schlagworte:	antibacterials Binding Sites Bridged Bicyclo Compounds - chemical synthesis Bridged Bicyclo Compounds - chemistry Bridged Bicyclo Compounds - pharmacology cross-coupling dehydroquinase Drug Design enzyme inhibition Enzyme Inhibitors - chemical synthesis Enzyme Inhibitors - chemistry Enzyme Inhibitors - pharmacology Helicobacter pylori - enzymology Hydro-Lyases Models, Molecular molecular modeling Molecular Structure Mycobacterium tuberculosis - enzymology Streptomyces coelicolor - enzymology
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Beschreibung
Zusammenfassung:	Filling the pocket: Biaryl inhibitors of type II dehydroquinase are described, designed to bind to both the active site and a subsidiary pocket. Compounds exhibited nanomolar inhibition of the enzyme, which is rationalised by molecular docking and protein crystallographic studies.
ISSN:	1860-7179 1860-7187
DOI:	10.1002/cmdc.200700062