Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 18, Issue 2, Pages 696-706Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmc.2009.11.059
Keywords
NQ01; NQ02; Structure-activity relationship; Molecular modelling; Toxicity
Funding
- MRC program [G0500366]
- Association for International Cancer Research
- Medical Research Council [G0500366] Funding Source: researchfish
- MRC [G0500366] Funding Source: UKRI
Ask authors/readers for more resources
A range of triazoloacridin-6-ones functionalized at C5 and C8 have been synthesized and evaluated for ability to inhibit NQO1 and NQO2. The compounds were computationally docked into the active site of NQO1 and NQO2, and calculated binding affinities were compared with IC50 values for enzyme inhibition. Excellent correlation coefficients were demonstrated suggesting a predictive QSAR model for this series of structurally similar analogues. From this we have identified some of these triazoloacridin-6-ones to be the most potent NQO2 inhibitors so far reported. (C) 2009 Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available
Share Paper
