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

Bioorganic and Medicinal Chemistry Letters

Volumn 20, Issue 24, 2010, Pages 7331-7336

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

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Inhibitors; Molecular modeling; NQO1; NQO2; Virtual screening

Indexed keywords

(1,1' BIPHENYL) 2,3',4,5',6 PENTOL; [1,1' BIPHENYL) 2,2',4,4' TETROL; CHLOROQUINE; DICOUMAROL; ELLIPTICINE; MOLECULAR SCAFFOLD; NSC 106080; NSC 332172; NSC 356419; NSC 356420; NSC 381864; NSC 621351; NSC 640353; NSC 640556; NSC 640558; NSC 640559; NSC 640566; NSC 640583; NSC 640584; NSC 648420; NSC 648422; NSC 65069; OXIDOREDUCTASE; OXIDOREDUCTASE INHIBITOR; PRIMAQUINE; QUINOLINE; QUINONE OXIDOREDUCTASE 2; QUINONE OXIDOREDUCTASE 2 INHIBITOR; RESVERATROL; UNCLASSIFIED DRUG; UNINDEXED DRUG;

ARTICLE; CONTROLLED STUDY; DRUG BINDING; DRUG IDENTIFICATION; DRUG SCREENING; ENZYME INHIBITION; MOLECULAR DOCKING; STRUCTURE ACTIVITY RELATION;

BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; ENZYME INHIBITORS; HUMANS; NAD(P)H DEHYDROGENASE (QUINONE); PROTEIN STRUCTURE, TERTIARY; QUINONE REDUCTASES;

EID: 78449279066     PISSN: 0960894X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmcl.2010.10.070     Document Type: Article

References (24)

1. S. Liao, and H.G. Williams-Ashmau Biochem. Biophys. Res. Commun. 4 1961 208
2. A.K. Jaiswal, P. Burnett, M. Adesnik, and O.W. McBride Biochemistry 29 1990 1899
3. D.J. Long II, and A.K. Jaiswal Gene 252 2000 107
4. D.J. Long II, and A.K. Jaiswal Chem. Biol. Interact. 129 2000 99
5. A.K. Jaiswal J. Biol. Chem. 269 1994 14502
6. Q. Zhao, X.L. Yang, W.D. Holtclaw, and P. Talalay Proc. Natl. Acad. Sci. U.S.A. 94 1997 1669
7. Y. Fu, L. Buryanovskyy, and Z. Zhang Biochem. Biophys. Res. Commun. 336 2005 332
8. S. Harada, H. Tachikawa, and Y. Kawanishi Psychiatr. Genet. 13 2003 205
9. W. Wang, W.D. Le, T. Pan, J.L. Stringer, and A.K. Jaiswal J. Gerontol. A Biol. Sci. Med. Sci. 63 2008 127
10. J. Brouillette, and R. Quirion Neurobiol. Aging 29 2008 1721
11. M. Faig, M.A. Bianchet, P. Talalay, S. Chen, S. Winski, D. Ross, and L.M. Amzel Proc. Natl. Acad. Sci. U.S.A. 97 2000 3177
12. C.E. Foster, M.A. Bianchet, P. Talalay, Q. Zhao, and L.M. Amzel Biochemistry 38 1999 9881
13. L. Buryanovskyy, Y. Fu, M. Boyd, Y. Ma, T.C. Hsieh, J.M. Wu, and Z. Zhang Biochemistry 43 2004 11417
14. R.J. Knox, T.C. Jenkins, S.M. Hobbs, S. Chen, R.G. Melton, and P.J. Burke Cancer Res. 60 2000 4179
15. D.J. Long, A. Gaikwad, A. Multani, S. Pathak, C.A. Montgomery, F.J. Gonzalez, and A.K. Jaiswal Cancer Res. 62 2002 3030
16. D.J. Long II, K. Iskander, A. Gaikwad, M. Arin, D.R. Roop, R. Knox, Barrios, and A.K. Jaiswal J. Biol. Chem. 277 2002 46131
17. K.A. Nolan, D.J. Timson, I.J. Stratford, and R.A. Bryce Bioorg. Med. Chem. Lett. 16 2006 6246
18. K.A. Nolan, H. Zhao, P.F. Faulder, A.D. Frenkel, D.J. Timson, D. Siegel, D. Ross, T.R. Burke Jr., I.J. Stratford, and R.A. Bryce J. Med. Chem. 50 2007 6316
19. K.A. Nolan, M.P. Humphries, R.A. Bryce, and I.J. Stratford Bioorg. Med. Chem. Lett. 20 2010 2832
20. S.A. Fitzsimmons, P. Workman, M. Grever, K. Paull, R. Camalier, and A.D. Lewis J. Natl. Cancer Inst. 8 1996 259
21. K.A. Nolan, J.R. Doncaster, M.S. Dunstan, K.A. Scott, A.D. Frenkel, D. Siegel, D. Ross, J. Barnes, C. Levy, D. Leys, R.C. Whitehead, I.J. Stratford, and R.A. Bryce J. Med. Chem. 52 2009 7142
22. M.L. Verdonk, J.C. Cole, M.J. Hartshorn, C.W. Murray, and R.D. Taylor Proteins 52 2003 1028
23. K.A. Nolan, M.P. Humphries, J. Barnes, J.R. Doncaster, M.C. Caraher, N. Tirelli, R.A. Bryce, R.C. Whitehead, and I.J. Stratford Bioorg. Med. Chem. 18 2010 696
24. A.C. Wallace, R.A. Laskowski, and J.M. Thornton Protein Eng. 8 1995 127