| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1374274 | Bioorganic & Medicinal Chemistry Letters | 2010 | 5 Pages |
Abstract
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).
Graphical abstractElectrostatic 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 full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
K.A. Nolan, M.P. Humphries, R.A. Bryce, I.J. Stratford,