Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 2, 2006, Pages 516-527

  Castilho, Marcelo S ^a   Postigo, Matheus P ^a   De Paula, Caroline B V ^a   Montanari, Carlos A ^a,b   Oliva, Glaucius ^a   Andricopulo, Adriano D ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

Author keywords

CoMFA; CoMSIA; HQSAR; Inhibitors; PNP; QSAR

Indexed keywords

PURINE NUCLEOSIDE PHOSPHORYLASE; PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITOR;

ARTICLE; CATTLE; CORRELATION COEFFICIENT; DRUG ACTIVITY; DRUG STRUCTURE; ENZYME INHIBITION; IC 50; MOLECULAR MODEL; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SPLEEN; THREE DIMENSIONAL IMAGING;

ENZYME INHIBITORS; KINETICS; MODELS, MOLECULAR; PURINE-NUCLEOSIDE PHOSPHORYLASE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

BOS TAURUS;

EID: 28844436051     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.08.055     Document Type: Article

References (28)

1. C. Mao, W.J. Cook, M. Zhou, A.A. Federov, S.C. Almo, and S.E. Ealick Biochemistry 37 1998 7135
2. L.M. Beauchamp, J.V. Tuttle, M.E. Rodriguez, and M.L. Sznaidman J. Med. Chem. 39 1996 949
3. G.A. Kicska, P.C. Tyler, G.B. Evans, R.H. Furneaux, K. Kim, and V.L. Schramm J. Biol. Chem. 277 2002 3219
4. A. Bzowska, E. Kulikowska, and D. Shugar Pharmacol. Ther. 88 2000 349
5. J.L. Kelley, E.W. McLean, R.C. Crouch, D.R. Averett, and J.V. Tuttle J. Med. Chem. 38 1995 1005
6. J.A. Montgomery Med. Chem. Rev. 13 1993 209
7. S. Bantia, and J.M. Kilpatrick Curr. Opin. Drug Discov. Dev. 7 2004 243
8. BCX-4208, a second generation PNP inhibitor, has entered Phase I trial as a drug candidate for the treatment of T-cell mediated autoimmune diseases. Further information is available in the ByoCryst Pharmaceuticals website at www.biocryst.com..
9. R. Ragno, M. Artico, G. De Martino, G. La Regina, A. Coluccia, A. Di Pasquali, and R. Silvestri J. Med. Chem. 48 2005 213
10. M. Murias, N. Handler, T. Erker, K. Pleban, G. Ecker, P. Saiko, T. Szekeres, and W. Jager Bioorg. Med. Chem. 12 2004 5571
11. P. Purushottamachar, and V.M. Kulkarni Bioorg. Med. Chem. 11 2003 3487
12. V. Farutin, L. Masterson, A.D. Andricopulo, J. Cheng, B. Riley, R. Hakimi, J.W. Frazer, and E.H. Cordes J. Med. Chem. 42 2000 2422
13. A.D. Andricopulo, and R.A. Yunes Chem. Pharm. Bull. 49 2001 10 17
14. P.R.N. Jayatilleke, A.C. Nair, R. Zauhar, and W.J. Welsh J. Med. Chem. 43 2000 4446
15. A.A. Söderholm, P.T. Lehtovuori, and T.H. Nyrönen J. Med. Chem. 48 2005 917
16. M.A. Avery, M. Alvim-Gaston, C.R. Rodrigues, E.J. Barreiro, F.E. Cohen, Y.A. Sabnis, and J.R. Woolfrey J. Med. Chem. 45 2002 292
17. J.A. Montgomery, S. Niwas, J.D. Rose, J.A. Secrist III, S. Babu, C.E. Bugg, M.D. Erion, W.C. Guida, and S.E. Ealick J. Med. Chem 36 1993 55
18. J.D. Secrist III, S. Niwas, J.D. Rose, S. Babu, C.E. Bugg, M.D. Erion, W.C. Guida, S.E. Ealick, and J.A. Montgomery J. Med. Chem. 36 1993 1847
19. W.C. Guida, R.D. Elliott, H.J. Thomas, J.A. Secrist III, S. Babu, C.E. Bugg, M.D. Erion, S.E. Ealick, and J.A. Montgomery J. Med. Chem. 37 1994 1114
20. S. Niwas, P. Cahnd, V.P. Pathak, and J.A. Montgomery J. Med. Chem. 37 1994 2477
21. S. Halazy, A. Eharhard, A. Eggenspiller, V. Berges-Gross, and C. Danzin Tetrahedron 52 1996 177
22. J.T. Anu, H.N. Tommi, R. Toni, and P. Antti J. Chem. Inf. Comput. Sci. 44 2004 807
23. A. Masamoto, H. Kiyoshi, and F. Kimito J. Chem. Inf. Comput. Sci. 43 2003 1390
24. E.J. Nicholas, B.T. David, W. Peter, and J.S. Graham J. Mol. Graph. Model. 20 2001 111
25. C. Lemmen, and T. Lengauer J. Comput. Aided Mol. Des. 14 2000 215
26. G. Jones, P. Willett, R.C. Glen, A.R. Leach, and R.D. Taylor J. Mol. Biol. 267 1997 727
27. M.L. Verdonk, J.C. Cole, M.J. Hartshorn, C.W. Murray, and R.D. Taylor Proteins 52 2003 609
28. W.L. Zhu, C. Gang, L.H. Hu, X.M. Luo, C.S. Gui, L. Cheng, C.M. Puah, K.X. Chen, and H.L. Jiang Bioorg. Med. Chem. 13 2005 313