title: Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2.
abstract: The purpose of the work was to identify novel inhibitors of the enzyme NQO2. Using computational molecular modelling, a QSAR (R(2)=0.88) was established, relating inhibitory potency with calculated binding affinity. From this, the imidazoacridin-6-one, NSC660841, was identified as the most potent inhibitor of NQO2 yet reported (IC(50)=6 nM).
authors.affiliation: School of Pharmacy and Pharmaceutical Sciences, the University of Manchester and Manchester Cancer Research Center, Oxford Road, Manchester M13 9PT, UK.
authors.forename: K A
authors.initials: KA
authors.lastname: Nolan
authors.forename: M P
authors.initials: MP
authors.lastname: Humphries
authors.forename: R A
authors.initials: RA
authors.lastname: Bryce
authors.forename: I J
authors.initials: IJ
authors.lastname: Stratford
mesh_terms: D000166:Acridines / Q000737:chemistry* / Q000494:pharmacology; D054831:Acridones / Q000737:chemistry* / Q000494:pharmacology; D001665:Binding Sites; D020134:Catalytic Domain; D003198:Computer Simulation; D016208:Databases, Factual; D004791:Enzyme Inhibitors / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D007093:Imidazoles / Q000737:chemistry* / Q000494:pharmacology; D021281:Quantitative Structure-Activity Relationship; D011808:Quinone Reductases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D013816:Thermodynamics
chemical_list: D000166:Acridines; D054831:Acridones; D004791:Enzyme Inhibitors; D007093:Imidazoles; C551000:NSC 660841; C419642:NRH - quinone oxidoreductase2; D011808:Quinone Reductases