In silico approaches to predicting drug metabolism, toxicology and beyond

Biochemical Society Transactions

Volumn 31, Issue 3, 2003, Pages 611-614

  Ekins, S ^a  

^a 19034   (United States)

Author keywords

Cytochrome P450; Human ether a gogo; In silico; Quantitative structure activity relationship (QSAR)

Indexed keywords

CYTOCHROME P450; CYTOCHROME P450 3A4; CYTOCHROME P450 3A5; CYTOCHROME P450 3A7; POTASSIUM CHANNEL; POTASSIUM CHANNEL BLOCKING AGENT; UNCLASSIFIED DRUG;

CHANNEL GATING; COMPUTER ANALYSIS; CONFERENCE PAPER; DATA ANALYSIS; DRUG METABOLISM; DRUG RESEARCH; IN VITRO STUDY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TOXICITY TESTING; VALIDATION PROCESS;

DRUG DESIGN; DRUG STABILITY; ELECTRONICS; MODELS, BIOLOGICAL; PHARMACEUTICAL PREPARATIONS; REPRODUCIBILITY OF RESULTS; TOXICOLOGY;

EID: 0038544619     PISSN: 03005127     EISSN: None     Source Type: Journal    
DOI: 10.1042/BST0310611     Document Type: Conference Paper

References (29)

1. Ekins, S., Boulanger, B., Swaan, P.W. and Hupcey, M.A.Z. (2002) J. Comput.-Aided Mol. Des. 16, 381-401
2. Ekins, S., Waller, C.L., Swaan, P.W., Cruciani, G., Wrighton, S.A. and Wikel, J.H. (2000) J. Pharmacol. Toxicol. Methods 44, 251-272
3. Golbraikh, A. and Tropsha, A. (2002) J. Comput. Aided Mol. Des. 16, 357-369
4. Young, S.S., Gombar, V.K., Emptage, M.R., Cariello, N.F. and Lambert, C. (2002) Chem. Intell. Lab. Sys. 60, 5-11
5. Manly, C.J., Louise-May, S. and Hammer, J.D. (2001) Drug Discovery Today 6, 1101-1110
6. Ekins, S., Kim, R.B., Leake, B.F., Dantzig, A.H., Schuetz, E., Lan, L.-b., Yasuda, K., Shepard, R.L., Winter, M.A., Schuetz, J.D., et al. (2002) Mol. Pharmacol. 61, 964-973
7. Langowski, J. and Long, A. (2002) Adv. Drug Delivery Rev. 54, 407-415
8. Jones, J.P., Mysinger, M. and Korzekwa, K.R. (2002) Drug Metab. Dispos. 30, 7-12
9. Bursi, R., de Gooyer, M.E., Grootenhuis, A., Jacobs, P.L., van der Louw, J. and Leysen, D. (2001) J. Mol. Graphics Modell. 19, 552-556
10. Lewis, D.F.V., Eddershaw, P.J., Goldfarb, P.S. and Tarbit, M.H. (1996) Xenobiotica 10, 1067-1086
11. de Groot, M.J., Ackland, M.J., Horne, V.A., Alex, A.A. and Jones, B.C. (1999) J. Med. Chem. 42, 1515-1524
12. Szklarz, G.D. and Halpert, J.R. (1997) Life Sci. 61, 2507-2520
13. Ekins, S., Bravi, G., Ring, B.J., Gillespie, T.A., Gillespie, J.S., VandenBranden, M., Wrighton, S.A. and Wikel, J.H. (1999) J. Pharmacol. Exp. Ther. 288, 21-29
14. Ekins, S., Bravi, G., Wikel, J.H. and Wrighton, S.A. (1999) J. Pharmacol. Exp. Ther. 291, 424-433
15. Snyder, R., Sangar, R., Wang, J. and Ekins, S. (2002) Quant. Struct. Act. Relat. 21, 357-368
16. Crespi, C.L., Miller, V.P. and Stresser, D.M. (2002) Methods Enzymol. 357, 276-284
17. Gao, F., Johnson, D.L., Ekins, S., Janiszewski, J., K.G., K., Meyer, R.D. and West, M. (2002) J. Biomol. Screening 7, 373-382
18. Ekins, S., Stresser, D.M. and Williams, J.A. (2003) Trends Pharmacol. Sci., in the press
19. Ekins, S. and Obach, R.S. (2000) J. Pharmacol. Exp. Ther. 295, 463-473
20. Schneider, G., Coassolo, P. and Lave, T. (1999) J. Med. Chem. 42, 5072-5076
21. Harrison, A., Gardner, I. and Morgan, P. (2001) Drug Metab. Rev. 33, 204
22. Thompson, T.N. (2001) Med. Res. Rev. 21, 412-449
23. Ishchenko, A.V. and Shakhnovich, E.I. (2002) J. Med. Chem. 45, 2770-2780
24. Ekins, S. and Rose, J.P. (2002) J. Mol. Graphics 20, 305-309
25. Crumb, W. and Cavero, I. (1999) Pharm. Sci. Technol. Today 2, 270-280
26. Ekins, S., Crumb, W.J., Sarazan, R.D., Wikel, J.H. and Wrighton, S.A. (2002) J. Pharmacol. Exp. Ther. 301, 427-434
27. Ekins, S. and Erickson, J.A. (2002) Drug Metab. Dispos. 30, 96-99
28. Ekins, S. and Schuetz, E. (2002) Trends Pharmacol. Sci. 23, 49-50
29. Ekins, S., Mirny, L. and Schuetz, E.G. (2002) Pharm. Res. 19, 1788-1800