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

Karen A. Nolan,Mary C. Caraher,Matthew P. Humphries,Hoda Abdel-Aal Bettley,Richard A. Bryce,Ian J. Stratford

Bioorganic & Medicinal Chemistry Letters（2010）

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摘要

Virtual screening of the NCI Chemical database has revealed that diverse structural scaffolds can bind in the active site of NQO2. Many of these compounds are active in the micromolar range as enzyme inhibitors.

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关键词

NQO2,NQO1,Virtual screening,Molecular modeling,Inhibitors

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