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ID: ALA1287791

Journal: Bioorg Med Chem Lett

Title: In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

Authors: Nolan KA, Caraher MC, Humphries MP, Bettley HA, Bryce RA, Stratford IJ.

Abstract: The NCI chemical database has been screened using in silico docking to identify novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Compounds identified from the screen exhibit a diverse range of scaffolds and inhibitory potencies are generally in the micromolar range. Some of the compounds also have the ability to inhibit NQO1. The modes of binding of the different compounds to the two enzymes are illustrated and discussed.

CiteXplore: 21074425

DOI: 10.1016/j.bmcl.2010.10.070