Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2

The purpose of the work was to identify novel inhibitors of the enzyme NQO2. Using computational molecular modelling, a QSAR (R2 = 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 (IC50 = 6 nM).

Electrostatic surface representation of NQO2 with NSC660841 docked in the binding pocked. NSC660841 is identified as the most potent inhibitor of NQO2 yet reported (IC50 = 6 nM).Figure optionsDownload as PowerPoint slide