In silico prediction of plasma and tissue protein binding

Comprehensive Medicinal Chemistry II

Volumn 5, Issue , 2006, Pages 847-866

  Colmenarejo, G ^a  

^a GLAXOSMITHKLINE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80051878887     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter

References (58)

1. Fichti, B.; Von Nieciecki, A.; Walter, K. Adv. Drug Res. 1991, 20, 117-166.
2. Smith, D. A.; Van de Waterbeemd, H.; Walker, D. K. Pharmacokinetics. In. Pharmacokinetics and Metabolism in Drug Design. Methods and Principles in Medicinal Chemistry; Smith, D. A., Van de Waterbeemd, H., Walker, D. K., Mannhold, R., Kubinyi, H., Timmerman, H., Eds.; Wiley-VCH: Weinheim, 2001, pp 15-34.
3. Smith, D. A.; Van de Waterbeemd, H.; Walker, D. K. Distribution. In. Pharmacokinetics and Metabolism in Drug Design. Methods and Principles in Medicinal Chemistry; Smith, D. A., Van de Waterbeemd, H., Walker, D. K., Mannhold, R., Kubinyi, H., Timmerman, H., Eds.; Wiley-VCH: Weinheim, 2001, pp 47-57.
4. Kratochwil, N. A.; Huber, W; Mueller, F; Kansy, M.; Gerber, P. R. Biochem. Pharmacol. 2002, 64, 1355-1374.
5. Kratochwil, N. A.; Huber, W; Müller, F; Kansy, M.; Gerber, P. R. Curr. Opin. Drug Disc. Dev. 2004, 7, 507-512.
6. Hervé, F; Urien, S.; Albengres, E.; Duché, J. C.; Tillement, J. Clin. Pharmacokinet. 1994, 26, 44-58.
7. Olson, R. E.; Christ, D. D. Ann. Rep. Med. Chem. 1996, 31, 327-336.
8. Carter, D. C.; Ho, J. X. Adv. Protean Chem. 1994, 45, 152-203.
9. Cistola, D. Nat. Struct. Biol. 1998, 5, 751-753.
10. Sudlow, G.; Birkett, D. J.; Wade, D. N. Mol. Pharmacol. 1975, 11, 824-832.
11. Sudlow, G; Birkett, D. J.; Wade, D. N. Mol Pharmacol 1976, 12, 1052-1061.
12. Galliano, M.; Kragh-Hansen, U.; Tarnoky, A. L.; Chapman, J. C.; Campagnoli, M.; Minchiotti, L. Clin. Chim. Acta 1999, 289, 45-55.
13. McLachlan, A. D.; Walker, J. E. J. Mol Biol 1977, 112, 543-558.
14. Sugio, S.; Kashima, A.; Mochizuki, S.; Noda, M.; Kobayashi, K. Protean Eng. 1999, 12, 439-446.
15. Curry, S.; Mankelkow, H.; Brick, P.; Franks, N. Nat. Struct. Biol. 1998, 5, 827-835.
16. Bhattacharya, A. A.; Curry, S.; Franks, N. P. J. Biol. Chem. 2000, 275, 38731-38738.
17. Bhattacharya, A. A.; Gruene, T; Curry, S. J. Mol. Biol. 2000, 303, 721-732.
18. Petitpas, I.; Grüne, T; Bhattacharya, A. A.; Curry, S. J. Mol. Biol. 2001, 314, 955-960.
19. Petitpas, I.; Bhattacharya, A. A.; Twine, S.; East, M.; Curry, S. J. Biol. Chem. 2001, 276, 22804-22809.
20. Petitpas, I.; Petersen, C. E.; Ha, C.-E.; Bhattacharya, A. A.; Zunszain, P. A.; Ghuman, J.; Bhagavan, N. V; Curry, S. Proc. Natl. Acad. Sei. 2003, 100, 6440-6445.
21. Wardell, M.; Wang, Z.; Ho, J. X.; Robert, J.; Ruker, F; Ruble, J.; Carter, D. C. Biochem. Biophys. Res. Commun. 2002, 291, 813-819.
22. Zunszain, P. A.; Ghuman, J.; Komatsu, T; Tsuchida, E.; Curry, S. BMC Struct. Biol. 2003, 3, 6.
23. Lejon, S.; Frick, I.-M.; Bjorck, L.; Wikstrüm, M.; Svensson, S. J. Biol. Chem. 2004, 279, 42924-42928.
24. He, X. M.; Carter, D. C. Nature 1992, 358, 209-215.
25. Fournier, T; Medjoubi, N. N.; Porquet, D. Biochim. Biophys. Acta 2000, 1482, 157-171.
26. Hervé, F; Caron, G.; Duché, J.-C.; Gaillard, P.; Rahman, N. A.; Tsantili-Kakoulidou, A.; Carrupt, P.-A.; D'Athis, P; Tillement, J.-P.; Testa, B. Mol. Pharmacol. 1998, 54, 129-138.
27. Kremer, J. M. H.; Wilting, J.; Janssen, L. M. H. Pharmacol. Rev. 1988, 40, 1-47.
28. Urien, S.; Nguyen, P; Bastian, G.; Lucas, C.; Tillement, J.-P. Invest. New Drugs 1995, 13, 37-41.
29. Stryer, L. Biochemistry, 4th ed.; W H. Freeman: New York, 1995, pp 695-697.
30. Rang, H. P; Dale, M. M.; Ritter, J. M. Pharmacology; Churchill Livingstone: Edinburgh, 1999.
31. Brée, F; Houin, G.; Barré, J.; Moretti, J.-L.; Wirquin, V; Tillement, J.-P. Clin. Pharmacokinet. 1986, 11, 336-342.
32. Poulin, P.; Theil, F-P. J. Pharm. Sei. 2002, 91, 129-156.
33. Bickel, M. H. Adv. Drug Res. 1994, 25, 55-86.
34. Colmenarejo, G. Med. Res. Rev. 2003, 23, 275-301.
35. Saiakhov, R. D.; Stefan, L. R.; Klopman, G. Perspect. Drug Disc. Des. 2000, 19, 133-155.
36. Hardman, J. G.; Limbird, L. E.; Gilman, A. G. Goodman & Gilman' The Pharmacological Basis of Therapeutics; McGraw-Hill: New York, 1996.
37. Klopman, G. Quant. Struct.-Act. Relat. 1992, 11, 176-184.
38. Lobell, M.; Sivarajah, V. Mol. Divers. 2003, 7, 69-87.
39. Yamazaki, K.; Kanaoka, M. J. Pharm. Sei. 2004, 93, 1480-1494.
40. Colmenarejo, G.; Alvarez-Pedraglio, A.; Lavandera, J. L. J. Med. Chem. 2001, 44, 4370-4378.
41. Hajduk, P. J.; Mendoza, R.; Petros, A. M.; Huth, J. R.; Bures, M.; Fesik, S. W; Martin, Y C. J. Comput.-AidedMol. Des. 2003, 17, 93-102.
42. Valko, K.; Nunhuck, S.; Bevan, C.; Abraham, M. H.; Reynolds, D. P. J. Pharm. Sei. 2003, 92, 2236-2248.
43. Hall, L. M.; Hall, L. H.; Kier, L. B. J. Chem. Inf. Comput. Sei. 2003, 43, 2120-2128.
44. Xue, C. X.; Zhang, R. S.; Liu, H. X.; Yao, X. J.; Liu, M. C.; Hu, Z. D.; Fan, B. T. J. Chem. Inf. Comput. Sei. 2004, 44, 1693-1700.
45. Yap, C. W; Chen, Y Z. J. Pharm. Sei. 2005, 94, 153-168.
46. Van de Waterbeemd, H.; Smith, D. A.; Jones, B. C. J. Comput.-Aided Mol. Des. 2001, 15, 273-286.
47. Abraham, M. H.; Kamlet, M. J.; Taft, R. W; Doherty, R. M.; Weathersby, P K. J. Med. Chem. 1985, 28, 865-870.
48. Abraham, M. H.; Weathersby, P. K. J. Pharm. Sci. 1994, 83, 1450-1456.
49. DeJongh, J.; Verhaar, H. J. M.; Hermens, J. L. M. Arch. Toxicol. 1997, 72, 17-25.
50. Baláž, Š.; Viera Lukáčová, V. Quant. Struct.-Act. Relat. 1999, 18, 361-368.
51. Poulin, P.; Theil, F-P. J. Pharm. Sei. 2000, 89, 16-35.
52. Poulin, P.; Schoenlein, K.; Theil, F-P. J. Pharm. Sei. 2001, 90, 436-447.
53. Rodgers, T.; Leahy, D.; Rowland, M. J. Pharm. Sci. 2005, 94, 1259-1276.
54. Zhang, H. J Chem. Inf. Model. 2005, 45, 121-127.
55. Poulin, P; Theil, F-P J. Pharm. Sci. 2002, 91, 129-156.
56. Lombardo, F; Obach, R. S.; Shalaeva, M. Y; Gao, F. J. Med. Chem. 2002, 45, 2867-2876.
57. Lombardo, F; Obach, R. S.; Shalaeva, M. Y; Gao, F. J. Med. Chem. 2004, 47, 1242-1250.
58. Oie, S.; Tozer, T N. J. Pharm. Sci. 1979, 68, 1203-1205.