New lead generation strategies for protein kinase inhibitors - Fragment based screening approaches

Mini-Reviews in Medicinal Chemistry

Volumn 4, Issue 3, 2004, Pages 301-311

  Gill, Adrian ^a  

^a ASTEX PHARMACEUTICALS   (United Kingdom)

Author keywords

Kinase inhibitors; Lead generation; NMR; Structure based drug design; Virtual screening; X ray crystallography

Indexed keywords

ADENOSINE KINASE INHIBITOR; ADENOSINE TRIPHOSPHATE; AT 3409; AT 381; AT 464; AT 660; CYCLIN DEPENDENT KINASE 2; DIMETHYL SULFOXIDE; GYRASE INHIBITOR; LIGAND; LIPOPOLYSACCHARIDE; MITOGEN ACTIVATED PROTEIN KINASE; PHOSPHOTRANSFERASE INHIBITOR; PROTEIN KINASE; PROTEIN KINASE INHIBITOR; SYNAPTOPHYSIN; TRIAZINE DERIVATIVE; TUMOR NECROSIS FACTOR ALPHA; UNCLASSIFIED DRUG; ENZYME INHIBITOR;

CATALYSIS; COMBINATORIAL CHEMISTRY; COMPUTER PROGRAM; COMPUTER SYSTEM; DRUG ACTIVITY; DRUG BIOAVAILABILITY; DRUG DESIGN; DRUG IDENTIFICATION; DRUG POTENCY; DRUG SAFETY; DRUG SCREENING; DRUG SELECTIVITY; DRUG SOLUBILITY; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; ENZYME CONFORMATION; ENZYME INHIBITION; HIGH THROUGHPUT SCREENING; HUMAN; IC 50; LIPOPHILICITY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROCESS OPTIMIZATION; PROTEIN DATABASE; PROTEIN DOMAIN; QUANTUM CHEMISTRY; REVIEW; SCORING SYSTEM; SCREENING TEST; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; VIRTUAL REALITY; X RAY CRYSTALLOGRAPHY; ANIMAL; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY;

ANIMALS; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 2342589483     PISSN: 13895575     EISSN: None     Source Type: Journal    
DOI: 10.2174/1389557043487385     Document Type: Review

References (91)

1. Hunter, T. Cell 1995, 80, 225-236.
2. Johnson, L. N.; Lewis, R. J. Chem. Rev. 2001, 101, 2209-2242.
3. Saito, H. Chem. Rev. 2001, 101, 2497-2510.
4. Two-component signal transduction; ASM Press: Washington, D.C., 1995.
5. Manning, G.; Whyte, D. B.; Martinez, R.; Hunter, T.; Sudarsanam, S. Science 2002, 298, 1912-1934.
6. King, G. L.; Ishii, H.; Koya, D. Kidney Int. Suppl. 1997, 60, 77-85.
7. Klein, I. K.; Ritland, S. R.; Burgart, L. J.; Zeismer, S. C.; Roche, P. C.; Gendler, W. E.; Karnes, W. E. Cancer Res. 2000, 60, 2077-2080.
8. Marks, F.; Geschwendt, M. Protein kinase C in disease. In Protein Phosphorylation; Mark, F. Ed.; VCH, Weinheim, 1996, Chap. 3.4, 101-108.
9. Levitzki, A.; Gazit, A. Science 1995, 267, 1782-1788.
10. Lacroix, H.; Iglehart, J. D.; Skinner, M. A.; Kraus, M. H. Oncogene 1989, 4, 145-151.
11. Disis, M. L.; Calenoff, E.; McLaughlin, G.; Murphy, A. E.; Lydon, N. Cancer Res. 1994, 54, 16-20.
12. Grimaux, M.; Romain, S.; Remvikos, Y.; Martin, P. M.; Magdelenat, H. Breast Cancer Res. 1989, 14, 77-99.
13. Shawver, L. In Tyrosine kinase inhibitors: From the emergence of targets to their clinical development; Perry, M. C. Ed.; American Society of Clinical Oncology Educational Book, American Society of Clinical Oncology, 35th Annual Meeting, Atlanta, GA, 1999, 29-47.
14. Sausville, E. In Cyclin-dependant kinases: Novel targets for cancer treatment; Perry, M. C. Ed.; American Society of Clinical Oncology Educational Book, American Society of Clinical Oncology, 35th Annual Meeting, Atlanta, GA, 1999, 9-21.
15. Blalock, W. L.; Weinstein-Oppenheimer, C.; Chang, F.; Hoytle, P. E.; Wang, P. A. Leukemia 1999, 13, 1109-1166.
16. Catlett-Falcone, R.; Dalton, W. S.; Jove, R. Curr. Opinion in Oncology 1999, 11, 490-496.
17. Knighton, D. R. Science 1991, 253, 407-414.
18. Hanks, S. K.; Hunter, T. FASEB J. 1995, 9, 576-596.
19. Taylor, S. S. Curr. Opin. Chem. Biol. 1997, 1, 219-226.
20. Broadbridge, R. J.; Sharma, R. P. Current Drug Targets 2000, 1, 365-386.
21. Vu, C. B. Curr. Med. Chem. 2000, 7, 1081-1100.
22. Cody, W. L. Curr. Pharm. Design 2000, 6, 59-98.
23. Yeh, R. H. J. Biol. Chem. 2001, 276, 12235-12240.
24. Lawrence, D. S.; Niu, J. Pharmacol. Ther. 1998, 77, 81-114.
25. Blum, G. Biochemistry 2000, 39, 15705-15712.
26. Parang, K. Nat. Struct. Biol. 2001, 8, 37-41.
27. Ichiro, N.; Ashcroft, F. M.; Ashcroft, S. J. H. FEBS Letters 1989, 257, 361-364.
28. Bridges, A. I. Chem. Rev. 2001, 101, 2541-2572.
29. Toledo, L. M.; Lydon, N. B.; Elbaum, D. Curr. Med. Chem. 1999, 6, 775-805.
30. Traxler, P. M. Exp. Opin. Ther. Patents 1997, 7, 571-588.
31. Traxler, P. M. Exp. Opin. Ther. Patents 1998, 8, 1599-1625.
32. Dumas, J. Exp. Opin. Ther. Patents 2001, 11, 405-429.
33. Fry, D. W. Expert Opinion in Investigational Drugs 1994, 3, 577-595.
34. Fry, D. W.; Klohs, W. D.; Kraker, A. J. J. Curr. Opin. Oncol. 1997, 9, 562-568.
35. Wang, Z. Structure 1998, 6, 1117-1128.
36. Schindler, T.; Sicheri, F.; Pico, A.; Gazit, A.; Levitski, A. Mol. Cell 1999, 3, 639-648.
37. Zhu, X. Structure 1999, 7, 651-661.
38. Liu, Y. Chem. Biol. 1999, 6, 671-678.
39. Hann, M. M.; Leach, A. R.; Harper, G. J. Chem. Inf. Comput. Sci. 2001, 41, 856-864.
40. Oprea, T. I.; Teague, S.; Davis, A. M.; Leeson, P. D. J. Chem. Inf. Comput. Sci. 2001, 41, 1308-1315.
41. Oprea, T. I. J. Comput. Aid. Mol. Design 2002, 6, 325-334.
42. Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeny, P. J. Adv. Drug Delivery Rev. 2001, 46, 3-26.
43. Ghose, A. K. J. Comb. Chem. 1999, 1, 55-68.
44. Oprea, T. J. Comput. Aid. Mol. Design 2000, 14, 251-264.
45. Neamati, N.; Barchi, J. J. Current Topics in Medicinal Chemistry 2002, 2, 211-227.
46. Carr, R. Hann, M. Modern Drug Discovery 2002, 45-48.
47. Shuker, S. B.; Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. Science 1996, 274, 1531-1534.
48. Hajduk, P. J.; Bures, M.; Praestgaard, J.; Fesik, S. W. J. Med. Chem. 2000, 43, 3443-3447.
49. Hajduk, P. J.; Dinges, J.; Miknis, G. F.; Merlock, M.; Middleton, T. J. Med. Chem. 1999, 42, 2315-2317.
50. Hajduk, P. J.; Sheppard, G.; Nettesheim, D. G.; Olejniczak, E. T.; Shuker, S. B. Meadows, R. P.; Steinman, D. H.; Carrera, G. M.; Marcotte, P. A.; Severin, J.; Walter, K.; Smith, H.; Gubbins, E.; Simmer, R.; Holzman, T. F.; Morgan, D. W.; Davidsen, S. K.; Summers, J. B.; Fesik, S. W. J. Am. Chem. Soc. 1997, 119, 5818-5827.
51. Hajduk, P. J.; Augeri, D. J.; Mack, J.; Mendoza, R.; Yang, J.; Betz, S. F.; Fesik, S. W. J. Am. Chem. Soc. 2000, 122, 7898-7904.
52. Pervushin, K.; Riek, R.; Wider, G.; Wuthrich, K. PNAS 1997, 94, 12366-12371.
53. Kay, L. E.; Keifer, P.; Saarinen, T. J. Am. Chem. Soc. 1992, 114, 10663-10665.
54. Schleucher, J.; Schwendinger, M.; Sattler, M.; Schmidt, P.; Schedletzky, O.; Glaser, S. J.; Griesinger, C. J. Biomol. NMR 1994, 4, 301-306.
55. Lepre, C. A. Drug Discovery Today 2001, 6, 133-140.
56. Fejzo, J.; Lepre, C. A.; Peng, J. W.; Bemis, G. W.; Murcko, M. A. Chem. Biol. 1999, 6, 755-769.
57. Boehm, H-J.; Boehringer, M.; Bur, D.; Gmuender, H.; Walter, K.; Huber, W.; Kostrewa, D.; Kuehne, H.; Luebbers, T.; Meunier-Keller, N.; Mueller, F. J. Med Chem. 2000, 43, 2664-2674.
58. Hajduk, P. J.; Gomtsyan, A.; Didomenico, S.; Cowart, M.; Bayburt, E. K.; Solomon, L.; Severin, J.; Smith, R.; Walter, K.; Holzman, T. F.; Stewart, A.; McGaraughty, S.; Jarvis, M. F.; Kowaluk, E. A.; Fesik, S. W. J. Med. Chem. 2000, 43, 4781-4786.
59. Shapiro, Y. E.; Kahana, E.; Tugarinov, V.; Liang, Z.; Freed, J. H. Biochemistry 2002, 41, 6271-6281.
60. Lyne, P. D. Drug Discovery Today 2002, 7, 1047-1055.
61. Murcko, M.; Walters, W. P.; Stahl, M. T. Drug Discovery Today 1998, 3, 160-178.
62. Gould, C.; Wong. C. F. Pharmacology & Therapeutics 2002, 93, 169-178.
63. Wong, C. F.; Thacher, T.; Rabitz, H. In Reviews in Computational Chemistry; Lipkowitz, K. B. & Boyd, D. B. Eds.; 1998, 12, 281-326.
64. Pearlman, D. A.; Charifson, P. S. J. Med. Chem. 2001, 44, 3417-3423.
65. Godden, J. W.; Stahura, F.; Bajorath, J. J. J. Mol. Graphics and Modelling 1998, 16, 139-143.
66. Doman, T. N.; McGovern, S. L.; Witherbee, B. J.; Kasten, T. P.; Kurumbail, R.; Stallings, W.; Conolly, D. T.; Shoichet, B. K. J. Med. Chem. 2002, 45, 2213-2221.
67. Hartshorn, M. J. AstexViewer™: J. Comp. Aided Mol. Design, in press. AstexViewerTM is also available from the CCP4 suite of programs (CCP4 - Collaborative Computational Project 4. (1994) The CCP4 Suite: Programs for Protein Crystallography. Acta Crystallographica D50, 760-763).
68. Jones, G.; Willett, P.; Glen, R.C.; Leach, A.R.; Taylor, R. J. Mol. Biol. 1997, 267, 727-749.
69. Scapin, G. Drug Discovery Today 2002, 7, 601-611.
70. Trumpp-Kallmeyer, S.; Rubin, J. R.; Humblet, C.; Hamby, J. M.; Showalter, H. D. H. J. Med. Chem. 1998, 41, 1752.
71. Trumpp-Kallmeyer, S.; Showalter, H. D. H. Chemtracts. 1998, 11, 550.
72. Trumpp-Kallmeyer, S.; Showalter, H. D. H.; Palmer, B. D.; Fry, D. W.; Nelson, J. M. J. Med. Chem. 1997, 40, 1519.
73. Furet, P.; Caravatti, G.; Lydon, N.; Priestle, J. P.; Sowadski, J. M.; Trinks, U.; Traxler, P. M. J. Comp-Aid. Mol. Des. 1995, 9, 465-472.
74. Traxler, P.; Green, J.; Mett, H.; Sequin, U.; Furet, P. J. J. Med. Chem. 1999, 42, 1018-1026.
75. Traxler, P.; Lydon, N.; Priestle, J. P.; Furet, P. J.; Buchdunger, E.; Bold, G.; Joerg, F.; Lang, M.; Mett, H.; Meyer, T.; Mueller, M. J. Med. Chem. 1997, 40, 3601-3616.
76. Traxler, P.; Lydon, N.; Buchdunger, E.; Meyer, T.; Mett, H.; Furet, P. J. Med. Chem. 1996, 39, 2285-2292.
77. Berman, H. M. Nucleic Acids Res. 2000, 28, 235-242.
78. Blundell, T. L.; Jhoti, H; Abell, C. Nature Reviews Drug Discovery 2002, 1, 45-54.
79. Goodwill, K. E.; Tennant, M. G.; Stevens, R. C. Drug Discovery Today 2001, 6, 113-118.
80. Blundell, T. L.; Abell, C.; Cleasby, A.; Hartshorn, M. J.; Tickle, I. J.; Parasini, E.; Jhoti, H. Special Publication - Royal Society of Chemistry. Drug Design 2002, 279, 53-59.
81. Heinemann, U. Curr. Opin. Biotech. 2001, 12, 348-354.
82. Lesley, S. A. Protein Exp. Purif. 2001, 22, 159-164.
83. Crowe, J. Methods Mol. Biol. 1994, 31, 371-387.
84. Stewart, L. Drug Discovery Today 2002, 7, 187-196.
85. Hendrickson, W. Trends Biochem. Sci. 2000, 25, 637-643.
86. Abola, E.; Kuhn, P.; Earnest, T.; Stevens, R. C. Nat. Struc. Biol. 2000, 7, 973-977.
87. Muchmore, S. W.; Olson, J. Jones, R. Pan, J. Blum, M.; Greer, J.; Merrick, S. M.; Magdalinos, P.; Nienaber, V. L. Structure 2000, 8, 243-246.
88. Perrakis, A.; Morris, R.; Lamzin, V. S. Nat. Struc. Biol. 1999, 6, 458-463.
89. Verlinde, C. In Structure-based Drug Design; Veerapandian, P. Ed.; Marcel Dekker Inc, NY, 1997, 365-394.
90. Nienaber V. L.; Richardson, P. L., Klighofer, V.; Bousha, J. J.; Greer, J. Nat. Biotech. 2000, 18, 1105-1108.
91. Carr, R.; Jhoti, H. Drug Discovery Today 2002, 7, 522-527.