In silico prediction of drug toxicity

Journal of Computer-Aided Molecular Design

Volumn 17, Issue 2-4, 2003, Pages 119-127

  Dearden, J C ^a  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHIPS; COMPUTATIONAL CHEMISTRY; EXPERT SYSTEMS; FORECASTING; LIBRARIES; MOLECULAR GRAPHICS;

CHEMICAL CLASS; CLINICAL TRIAL; COMBINATORIAL CHEMISTRY; HIGH THROUGHPUT SCREENING; IN-SILICO; LATEST DEVELOPMENT; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SILICO PREDICTION; TOXICITY ENDPOINTS; TOXICITY PREDICTIONS;

TOXICITY;

AMPHOTERICIN B; ANILINE MUSTARD DERIVATIVE; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; ANTIBIOTIC AGENT; ANTIFUNGAL AGENT; ANTIMALARIAL AGENT; ANTINEOPLASTIC AGENT; AROMATIC HYDROCARBON; AROMATIC NITRO COMPOUND; CHLORMETHINE DERIVATIVE; HETEROCYCLIC COMPOUND; IMIDAZOLE DERIVATIVE; NONSTEROID ANTIINFLAMMATORY AGENT; PHORBOL ESTER; PROSTAGLANDIN SYNTHASE INHIBITOR; PROTEINASE INHIBITOR;

ARTICLE; CARCINOGENICITY; CARDIOTOXICITY; CYTOTOXICITY; DRUG RESEARCH; DRUG SCREENING; DRUG SYNTHESIS; EXPERT SYSTEM; IMMUNOTOXICITY; INTERMETHOD COMPARISON; MATHEMATICAL COMPUTING; MUTAGENICITY; NEUROTOXICITY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SKIN SENSITIZATION; TERATOGENICITY; TOXICITY TESTING; TOXICOLOGY;

EID: 0042355457     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1025361621494     Document Type: Article

References (62)

1. Hansch, C. and Leo, A., Exploring QSAR: Fundamentals and Applications in Chemistry and Biology, Amer. Chem. Soc., Washington, DC, 1995.
2. Kennedy, T., Drug Disc. Today, 2 (1997) 436.
3. Crum Brown, A. and Fraser, T.R., Trans. Roy. Soc. Edinburgh, 25 (1868-69) 151.
4. Hansch, C., Maloney, P.P., Fujita, T. and Muir, R.M., Nature, 194 (1962) 178.
5. Hansch, C. and Clayton, J.M., J. Pharm. Sci., 62 (1973) 1.
6. King, L.A. and Moffat, A.C., Med. Sci. Law, 23 (1983) 193.
7. Lien, E.J. and Tong, G.L., Cancer Chemother. Rep., 57 1973) 251.
8. Jarzebski, A., Falkowski, L. and Borowski, E., J. Antibiot. 35 (1982) 220.
9. Chen, P., Cheng, P.T.W., Alam, M., Beyer, B.D., Bisacchi, G.S., Dejneka, T., Evans, A.J., Greytok, J.A., Hermsmeier, M.A., Humphreys, W.G., Jacobs, G.A., Kocy, O., Lin, P.-F., Lis, K.A., Marella, M.A., Ryono, D.E., Sheaffer, A.K., Spergel, S.H., Sun, C., Tino, J.A., Vite, G., Colonno, R.J., Zahler, R. and Barrish, J.C., J. Med. Chem., 39 (1996) 1991.
10. Schön, U., Antel, J., Brückner, R. and Messinger, J., Med. Chem., 41 (1998) 318.
11. Dearden, J.C., Cronin, M.T.D. and Thomas, G.R., J. Pharm. Pharmacol., 51 (1999) Suppl., 267.
12. Dearden, J.C., Cronin, M.T.D. and Shah, S. J. Pharm. Pharmacol., 51 (1999) Suppl., 266.
13. Hansch, C., Bjorkroth, J.P. and Leo, A., J. Pharm. Sci., 76 (1987) 663.
14. Martin, Y.C. and Hansch, C., J. Med. Chem., 14 (1971) 777.
15. Mannhold, R. and Dross, K., Quant. Struct.-Act. Relat., 15 (1996) 403.
16. Dearden, J.C., Netzeva, T.I. and Bibby, R., J. Pharm. Pharmacol. 54 (2002) suppl., S-65.
17. Dearden, J.C., Netzeva, T.I. and Bibby, R., J. Pharm. Pharmacol. 54 (2002) suppl., S-66.
18. Benigni, R. and Giuliani, A., Med. Res. Rev., 16 (1996) 267.
19. Dearden, J.C., Cronin, M.T.D., Patel, H. and Raevsky, O.A., J. Pharm. Pharmacol., 52 (2000) Suppl., 221.
20. Dearden, J.C. and Scott, A.C., J. Pharm. Pharmacol., 54 (2002) Suppl., S-66.
21. Mumtaz, M.M., Knauf, L.A., Reisman, D.J., Peirano, W.B., Derosa, C.T., Gombar, V.K., Enslein, K., Carter, J.R., Blake, BW., Huque, K.I. and Ramanujam, V.M.S., Toxicol. Lett., 79 (1995) 131.
22. Barratt, M.D., ATLA, 23 (1995) 111.
23. Gao, H., Williams, C.M., Labute, P. and Bajorath, J., J. Chem. Inf. Comput. Sci., 39 (1999) 164.
24. Dearden, J.C. and Cronin, M.T.D., In Peijnenburg, W.J.G.M. and Damborský, J. (Eds.) Biodegradability Prediction, Kluwer Academic Publishers, Dordrecht, 1996, pp. 93-104.
25. Dearden, J.C., Barratt, M.D., Benigni, R., Bristol, D.W., Combes, R.D., Cronin, M.T.D., Judson, P.N., Payne, M.P., Richard, A.M., Tichý, M., Worth, A.P. and Yourick, J.J., ATLA, 25 (1997) 223.
26. Benfenati, E. and Gini, G., Toxicol., 119 (1997) 213.
27. Richard, A.M., Knowledge Eng. Rev., 14 (1999) 307.
28. Helma, C., Gottmann, E. and Kramer, S., Stat. Methods Med. Res., 9 (2000) 329.
29. Greene, N., Adv. Drug Deliv. Rev., 54 (2002) 417.
30. Enslein, K., Gombar, V.K. and Blake, B.W., Mut. Res., 305 (1994) 47.
31. Enslein, K., Gombar, V.K., Blake, BW., Maibach, H.I., Hostynek, J.J., Sigman, C.C. and Bagheri, D., Food Chem. Toxicol., 35 (1997) 1091.
32. Rosenkranz, H.S., Cunningham, A.R., Zhang, Y.P., Claycamp, H.G., Macina, O.T., Sussman, N.B., Grant, S.G. and Klopman, G., SAR QSAR Environ. Res., 10 (1999) 277.
33. Cunningham, A.R., Klopman, G. and Rosenkranz, H.S., Mut. Res. - Fund. Mol. Mech. Mut., 405 (1998) 9.
34. Gomez, J., Macina, O.T., Mattison, D.R., Zhang, Y.P., Klopman, G. and Rosenkranz, H.S., Teratol., 60 (1999) 190.
35. Matthews, E.J. and Contrera, J.F., Regul. Toxicol. Pharmacol., 28 (1998) 242.
36. Greene, N., Judson, P.N., Langowski, J.J. and Marchant, C.A., SAR QSAR Environ. Res., 10 (1999) 299.
37. Steger-Hartmann, T., Yih, T.D., Marchant, C.A. and Langowski, J.J., Naunyn-Schmiedeberg's Arch. Pharmacol., 363 (2001) Suppl., S-363.
38. Barratt, M.D., Castell, J.V., Miranda, M.A. and Langowski, J.J., J. Photochem. Photobiol. B - Biol., 58 (2000) 54.
39. Smithing, M.P. and Darvas, F., In Finlay, J.W., Robinson, S.F. and Armstrong, D.J., (Eds.) Food Safety Assessment (American Chemical Society Symposium Series No. 484), American Chemical Society, Washington, DC, 1992, pp. 191-200.
40. Brown, S.J., Raja, A.A. and Lewis, D.F.V., ATLA, 22 (1994) 482.
41. Woo, Y.-T., Lai, D., Argus, M. and Arcos, J., Toxicol. Lett., 79 (1995) 219.
42. Purdy, R., Environ. Health Perspect., 104 (1996) 1085.
43. Parke, D.V., Ioannides, C. and Lewis, D.F.V., ATLA, 18 (1990) 91.
44. Lewis, D.F.V., Ioannides, C. and Parke, D.V., Drug Metab. Rev., 30 (1998) 709.
45. Lewis, D.F.V., J. Chem. Tech. Biotech., 76 (2001) 237.
46. Lewis, D.F.V., Ioannides, C. and Parke, D.V., Mut. Res., 291 (1993) 61.
47. Richard, A.M., Mut. Res. - Fund. Mol. Mech. Mutagen., 400 (1998) 493.
48. Lewis, D.F.V., Bird, M.G. and Jacobs, M.N., Human Exper. Toxicol., 21 (2002) 115.
49. Benigni, R., Mut. Res. - Environ. Muta., 334 (1995) 103.
50. Richard, A.M. and Benigni, R., SAR QSAR Environ. Res., 13 (2002) 1.
51. Benigni, R., Mut. Res. - Rev. Mut. Res., 387 (1997) 35.
52. Leo, A., Panthananickal, A. and Hansch, C., J. Med. Chem., 24 (1981) 859.
53. Topliss, J.G. and Costello, R.J., J. Med. Chem., 15 (1972) 1066.
54. Dunn, W.J. and Wold, S., J. Med. Chem., 21 (1978) 1001.
55. Rippmann, F., Quant. Struct.-Act. Relat., 9 (1990) 1.
56. Benigni, R., Giuliani, A., Franke, R. and Gruska, A., Chem. Rev., 100 (2000) 3697.
57. Benigni, R., Andreoli, C. and Giuliani, A., Carcinogenesis, 10 (1989) 55.
58. Jurs, P.C., Chou, J.T. and Yuan, M. J. Med. Chem., 22 (1979) 476.
59. Gini, G., Lorenzini, M., Benfenati, E., Grasso, P. and Bruschi, M., J. Chem. Inf. Comput. Sci., 39 (1999) 1076.
60. Zhang, L.T., Sannes, K., Shusterman, A.J. and Hansch, C., Chem.-Biol. Interact., 81 (1992) 149.
61. Blake, B.W., Enslein, K., Gombar, V.K. and Borgstedt, H.H., Mut. Res., 241 (1990) 261.
62. Moriguchi, I. Hirano, H. and Hirono, S., Environ. Health Perspect., 104 (1996) 1051.