Triazoloacridin-6-ones as novel inhibitors of the quinone oxidoreductases NQO1 and NQO2 |
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| Authors: | Karen A Nolan Matthew P Humphries John Barnes Jeremy R Doncaster Mary C Caraher Nicola Tirelli Richard A Bryce Roger C Whitehead Ian J Stratford |
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| Institution: | 1. School of Pharmacy and Pharmaceutical Sciences, University of Manchester and Manchester Cancer Research Center, Manchester M13 9PT, UK;2. School of Chemistry, University of Manchester and Manchester Cancer Research Center, Manchester M13 9PT, UK |
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| 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. |
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