Discovery of NAD(P)H:quinone oxidoreductase 1 (NQO1) inhibitors with novel chemical scaffolds by shape-based virtual screening combined with cascade docking
Author:
Affiliation:
1. Jiangsu Key Laboratory of Drug Design and Optimization
2. China Pharmaceutical University
3. Nanjing
4. China
5. Department of Medicinal Chemistry
6. State Key Laboratory of Natural Medicines
7. Department of Organic Chemistry
Abstract
A number of novel NAD(P)H:quinone oxidoreductase 1 (NQO1) inhibitors were discovered from the ChemDiv database via a simple protocol.
Funder
Natural Science Foundation of Jiangsu Province
National Natural Science Foundation of China
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2015/RA/C5RA05919D
Reference30 articles.
1. NAD(P)H:Quinone Oxidoreductase 1: Role as a Superoxide Scavenger
2. Advances on structure-activity relationship of NQO1-targeting antitumor quinones
3. Structures of recombinant human and mouse NAD(P)H:quinone oxidoreductases: Species comparison and structural changes with substrate binding and release
4. Structure-Based Development of Anticancer Drugs
5. Characterization of a Mechanism-Based Inhibitor of NAD(P)H:Quinone Oxidoreductase 1 by Biochemical, X-ray Crystallographic, and Mass Spectrometric Approaches
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