Novel inhibitors of NRH: quinone oxidoreductase 2 (NQO2): crystal structures, biochemical activity, and intracellular effects of imidazoacridin-6-ones

…, J Barnes, M Humphries, RC Whitehead…

文献索引：Dunstan, Mark S.; Barnes, John; Humphries, Matthew; Whitehead, Roger C.; Bryce, Richard A.; Leys, David; Stratford, Ian J.; Nolan, Karen A. Journal of Medicinal Chemistry, 2011 , vol. 54, # 19 p. 6597 - 6611

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被引用次数: 8

摘要

Imidazoacridin-6-ones are shown to be potent nanomolar inhibitors of the enzyme NQO2. By use of computational molecular modeling, a reliable QSAR was established, relating inhibitory potency with calculated binding affinity. Further, crystal structures of NQO2 containing two of the imidazoacridin-6-ones have been solved. To generate compounds with reduced off-target (DNA binding) effects, an N-oxide moiety was introduced into the ...