title: A mechanism of efficient G6PD inhibition by a molecular clip.
abstract: Triple duty: A synthetic molecular clip traps nicotinamide adenine dinucleotide phosphate (NADP(+); see picture) as well as occupying both the cofactor- and the substrate-binding site in glucose-6-phosphate (G6P) dehydrogenase. This combination of two inhibition mechanisms makes the clip highly effective and selective for this enzyme over other dehydrogenases.
authors.affiliation: Institut für Physiologische Chemie, Iniversitätsklinikum Essen, Hufelandstrasse 55, 45122 Essen, Germany.
authors.forename: Michael
authors.initials: M
authors.lastname: Kirsch
authors.forename: Peter
authors.initials: P
authors.lastname: Talbiersky
authors.forename: Jolanta
authors.initials: J
authors.lastname: Polkowska
authors.forename: Frank
authors.initials: F
authors.lastname: Bastkowski
authors.forename: Torsten
authors.initials: T
authors.lastname: Schaller
authors.forename: Herbert
authors.initials: H
authors.lastname: de Groot
authors.forename: Frank-Gerrit
authors.initials: FG
authors.lastname: Klärner
authors.forename: Thomas
authors.initials: T
authors.lastname: Schrader
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D018360:Crystallography, X-Ray; D003687:Dehydroepiandrosterone / Q000737:chemistry*; D004791:Enzyme Inhibitors / Q000737:chemistry*; D005954:Glucosephosphate Dehydrogenase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D006801:Humans; D007700:Kinetics; D009249:NADP / Q000378:metabolism*; D011487:Protein Conformation; D013379:Substrate Specificity; D013816:Thermodynamics
chemical_list: D004791:Enzyme Inhibitors; D003687:Dehydroepiandrosterone; D009249:NADP; D005954:Glucosephosphate Dehydrogenase