Title of article
Triazoloacridin-6-ones as novel inhibitors of the quinone oxidoreductases NQO1 and NQO2 Original Research Article
Author/Authors
Karen A. Nolan، نويسنده , , Matthew P. Humphries، نويسنده , , John Barnes، نويسنده , , Jeremy R. Doncaster، نويسنده , , Mary C. Caraher، نويسنده , , Nicola Tirelli، نويسنده , , Richard A. Bryce، نويسنده , , Roger C. Whitehead، نويسنده , , Ian J. Stratford، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2010
Pages
11
From page
696
To page
706
Abstract
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.
Keywords
NQ01 , Structure–activity relationship , molecular modelling , Toxicity , NQ02
Journal title
Bioorganic and Medicinal Chemistry
Serial Year
2010
Journal title
Bioorganic and Medicinal Chemistry
Record number
1307061
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