Rational design of new bifunctional inhibitors of type II dehydroquinase

Rational design of new bifunctional inhibitors of type II dehydroquinase

Selective inhibitors of type II dehydroquinase were rationally designed to explore a second binding-pocket in the active-site. The molecular modelling, synthesis, inhibition studies and crystal structure determination are described.

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Bibliographische Detailangaben
Veröffentlicht in:Organic & biomolecular chemistry 2005-09, Vol.3 (17), p.3102-3104
Hauptverfasser: Toscano, Miguel D, Stewart, Kirsty A, Coggins, John R, Lapthorn, Adrian J, Abell, Chris
Format: Artikel
Sprache:eng
Schlagworte:
Crystallography, X-Ray
Drug Design
Enzyme Inhibitors - chemical synthesis
Enzyme Inhibitors - chemistry
Enzyme Inhibitors - pharmacology
Hydro-Lyases - antagonists & inhibitors
Models, Molecular
Molecular Conformation
Protein Conformation
Stereoisomerism
Streptomyces coelicolor - enzymology
Structure-Activity Relationship
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Beschreibung
Zusammenfassung:Selective inhibitors of type II dehydroquinase were rationally designed to explore a second binding-pocket in the active-site. The molecular modelling, synthesis, inhibition studies and crystal structure determination are described.
ISSN:1477-0520
1477-0539
DOI:10.1039/b507156a