Biological fingerprints

Comprehensive Medicinal Chemistry II

Volumn 4, Issue , 2006, Pages 807-818

  Stanton, R V ^a   Cao, Q ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84906457144     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter

References (50)

1. Dixon, R. W; Radmer, R. J. ; Kuhn, B. ; Kollman, P. A. ; Yang, J. ; Raposo, C. ; Wilcox, C. S. ; Klumb, L. A. ; Stayton, P S. ; Benhke, C. et al. J. Org. Chem. 2002, 67, 1827-1837.
2. Chiba, P; Ecker, G. F Exp. Opin. Ther. Patents 2004, 14, 499-508.
3. Brown, R. D.; Martin, Y C. J. Chem. Inf. Comput. Sei. 1997, 37, 1-9.
4. Horvath, D.; Jeandenans, C. J. Chem. Inf. Comput. Sei. 2003, 43, 680-690.
5. Oprea, T I. J. Braz. Chem. Soe. 2002, 13, 811-815.
6. Petterson, D. E.; Cramer, R. D.; Ferguson, A. M.; Clark, R. D.; Weinberger, L. E. J. Med. Chem. 1996, 39, 3049-3059.
7. Martin, Y C.; Kofron, J. L.; Traphagen, L. M. J. Med. Chem. 2002, 45, 4350-4358.
8. Daylight Fingerprints. Daylight Chemical Information Systems, Inc. www.daylight.com: Irvine, CA (accessed April 2006).
9. Kubinyi, H. Perspeet. Drug Disc. Design 1998, 9, 225-252.
10. Dixon, S. L.; Villar, H. O. J. Chem. Inf. Comput. Sei. 1998, 38, 1192-1203.
11. Kauvar, L. M.; Villar, H. O.; Sportsman, J. R.; Higgins, D. L. J. Chromatogr. B 1998, 715, 93-102.
12. Kauvar, L. M.; Higgins, D. L.; Villar, H. O.; Sportsman, J. R.; Engqvist-Goldstein, A.; Bukar, R.; Bauer, K. E. Chem. Biol. 1995, 2, 107-118.
13. Beroza, P; Villar, H. O.; Wick, M. M.; Martin, G. R. Drug Disc. Today 2002, 7, 807-814.
14. Hsu, N.; Cai, D.; Damodaran, K.; Gomez, R. F; Keck, J. G.; Laborde, E.; Lum, R. T; Macke, T J.; Martin, G.; Schow, S. R. et al. J. Med. Chem. 2004, 47, 4875-4880.
15. Miller, J. M.; Bradley, E. K.; Teig, S. J. Chem. Inf. Comput. Sei. 2003, 43, 47-54.
16. Eksterowicz, J. E.; Evensen, E.; Lemmen, C.; Brady, G. P; Lanctot, J. K.; Bradley, E. K.; Saiah, E.; Robinson, L. A.; Grootenhuis, P. D. J.; Blaney, J. M. J. Mol Graph Mod. 2002, 20, 469-477.
17. Briem, H.; Kuntz, I. D. J. Med. Chem. 1996, 39, 3401-3408.
18. Kuntz, I. D.; Blaney, J. M.; Oatley, S. J.; Landgridge, R.; Ferrin, T. E. J. Mol. Biol. 1982, 161, 269-288.
19. MDL Drug Data Report (MDDR). www.mdl.com (accessed April 2006).
20. Lessel, U. F; Briem, H. J. Chem. Inf. Comput. Sei. 2000, 40, 246-253.
21. Weber, A.; Teckentrup, A.; Briem, H. J. Comput.-AidedMol. Des. 2002, 16, 903-916.
22. Krejsa, C. M.; Horvath, D.; Rogalski, S. L.; Penzotti, J. E.; Mao, B.; Barbosa, F; Migeon, J. C. Gurr. Opin. Drug Disc. Dev. 2003, 6, 470-480.
23. Fliri, A. F; Loging, W T; Thadelo, P.F; Volkmann, R. A. Proc Natl. Acad. Sei. 2005, 102, 261-266.
24. BioPrint. Cerep SA, Inc.: Paris, France.
25. Greenbaum, D. C.; Arnold, W. D.; Lu, F; Hayrapetian, L.; Baruch, A.; Krumrine, J.; Toba, S.; Chehade, K.; Bromme, D.; Kuntz, I. D. Chem. Biol. 2002, 9, 1085-1094.
26. Mason, J. S.; Mills, J. E.; Barker, C.; Loesel, J.; Yeap, K.; Snarey, M. Higher-Throughput Approaches to Property and Biological Profiling, Including the Use of 3-D Pharmacophore Fingerprints and Applications to Virtual Screening and Target Class-Focused Library Design; Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003, COMP-343.
27. Mason, J. S. Understanding Leads and Chemotypes from a Biological Viewpoint: Chemogenomic, Biological Profiling and Datamining Approaches. In Book of Abstracts of First European Conference on Chemistry for Life Sciences: Understanding the Chemical Mechanisms of Life. October 4-8, 2005. Rimini, Italy.
28. Bender, A.; Glen, R. C. Org. Biomol. Chem. 2004, 2, 3204-3218.
29. Horvath, D.; Jeandenans, C. J. Chem. Inf. Comput Sei. 2003, 43, 691-698.
30. Horvath, D. Throughput Conformational Sampling and Fuzzy Similarity Metrics: A Novel Approach to Similarity Searching and Focused Combinatorial Library Design and its Role in the Drug Discovery Laboratory. In Principles, Software Tools and Applications'; Ghose, A., Viswandhan, V, Eds.; Marcel Dekker: New York, 2001, pp 429-472.
31. Brown, R. D.; Martin, Y C. J. Chem. Inf. Comput. Sei. 1996, 36, 572-584.
32. Cleavland, E. S.; Monks, A. P; Vaigro-Wolff, A.; Zaharevitz, D. W.; Paull, K.; Ardalan, K.; Cooney, D. A.; Ford, H. Biochem. Pharmacol. 1995, 49, 947-954.
33. Paull, K.; Shoemaker, R. H.; Hodes, L.; Monks, A. P; Scudiero, D. A.; Rubinstein, L. V; Plowman, J.; Boyd, M. R. J. Natl. Cancer Inst. 1989, 81, 1088-1092.
34. Fliri, A. F; Loging, W T; Thadeio, P F; Volkmann, R. A. J. Med. Chem. 48, 6918-6925.
35. Lamb, M. L. Targeting the Kinome with Computational Chemistry. In Annual Reports in Computational Chemistry; Spellmeyer, D. C., Ed.; Elsevier: Amsterdam, 2005, pp 185-202.
36. Ahsen, O. V; Bomer, U. Chem. Biochem. 2005, 6, 481-490.
37. Wesche, H.; Xiao, S.-H.; Young, S. W Comb. Chem. HTS 2005, 8, 181-195.
38. Dumas, J. Exp. Opin. Ther. Patents 2001, 11, 405-429.
39. Attwood, T K.; Croning, M. D. R.; Gaulton, A. Prot. Eng. 2001, 14, 7-12.
40. Lamb, M. L.; Bradley, E. K.; Beaton, G.; Bondy, S. S.; Castellino, A. J.; Gibbons, P. A.; Suto, M. J.; Grootenhuis, P D. J. J. Mol. Graph Mod. 2004, 23, 15-21.
41. Manning, G.; Whyte, D. B.; Martinez, R.; Hunter, T; Sudarsanam, S. Science 2002, 298, 1912-1934.
42. Frye, S. V Chem. Biol. 1999, 6, R3-R7.
43. Vieth, M.; Higgs, R. E.; Robertson, D. H.; Shapiro, M.; Gragg, E. A.; Hemmerle, H. Biochim. Biophys. Acta 2004, 1697, 243-257.
44. Fabian, M. A.; Biggs, WH.; Treiber, D. K.; Atteridge, C. E.; Azimioara, M. D.; Benedetti, M. G.; Carter, T A.; Ciceri, P; Eden, P. T; Floyd, M. et al. Nat. Biotechnol. 2005, 23, 329-336.
45. Shcreiber, S. L. C&E News 2003, 81, 51-61.
46. Strausberg, R. L.; Schreiber, S. L. Science 2003, 300, 294-295.
47. Haggarty, S. J.; Koeller, K. M.; Wong, J. C.; Butcher, R. A.; Schreiber, S. L. Chem. Biol. 2003, 10, 383-396.
48. Haggarty, S. J.; Clemons, P. A.; Schreiber, S. L. J. Am. Chem. Soc 2003, 125, 10543-10545.
49. Kim, Y-K.; Arai, M. A.; Arai, T.; Lamenzo, J. O.; Dean, E. F; Patterson, N.; Clemons, P. A.; Schreiber, S. J. Am. Chem. Soc. 2004, 126, 14740-14745.
50. Weinstein, J. N.; Myers, T G.; O'Connor, P.M.; Friend, S. H.; Fornace, A. J.; Kohn, K. W.; Fojo, T; Bates, S. E.; Rubinstein, L. V; Anderson, N. L. Science 1997, 275, 343-349.