title: Rational design of new bifunctional inhibitors of type II dehydroquinase.
abstract: 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.
authors.affiliation: University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW, UK.
authors.forename: Miguel D
authors.initials: MD
authors.lastname: Toscano
authors.forename: Kirsty A
authors.initials: KA
authors.lastname: Stewart
authors.forename: John R
authors.initials: JR
authors.lastname: Coggins
authors.forename: Adrian J
authors.initials: AJ
authors.lastname: Lapthorn
authors.forename: Chris
authors.initials: C
authors.lastname: Abell
mesh_terms: D018360:Crystallography, X-Ray; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology*; D006836:Hydro-Lyases / Q000037:antagonists & inhibitors*; D008958:Models, Molecular; D008968:Molecular Conformation; D011487:Protein Conformation; D013237:Stereoisomerism; D048372:Streptomyces coelicolor / Q000201:enzymology; D013329:Structure-Activity Relationship
chemical_list: D004791:Enzyme Inhibitors; D006836:Hydro-Lyases; C020000:3-dehydroquinate dehydratase