- In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).
In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).
Bioorganic & medicinal chemistry letters (2010-11-16)
Karen A Nolan, Mary C Caraher, Matthew P Humphries, Hoda Abdel-Aal Bettley, Richard A Bryce, Ian J Stratford
PMID21074425
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.
MATERIALS