In Silico prediction hepatotoxicity

Current Computer-Aided Drug Design

Volumn 5, Issue 2, 2009, Pages 122-127

  Cheng, Ailan ^a  

^a Stahl Sheaffer Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

TOXICITY;

BLACK BOXES; CLINICAL STUDY; DRUG DEVELOPMENT CYCLE; HEPATOTOXICITY; IN-SILICO; IN-SILICO MODELS; LIVER TOXICITY; ORGAN FAILURE; PRECLINICAL STUDIES; SILICO PREDICTION;

COST EFFECTIVENESS;

DRUG;

ACCURACY; COMPUTER MODEL; COMPUTER PREDICTION; COMPUTER PROGRAM; CYTOTOXICITY TEST; DRUG WITHDRAWAL; GENETIC POLYMORPHISM; HUMAN; INFORMATION PROCESSING; INFORMATION RETRIEVAL; INTERMETHOD COMPARISON; LIVER TOXICITY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; REVIEW; VALIDITY;

EID: 70350241255     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340909788451883     Document Type: Review

References (41)

1. PhRMA. Annual Report 2001 - 2002: New Medicines New Hope, 2001; Available from: http://www.phrma.org/publications/publications/ annual2001/innovation.phtml
2. Adams, C.P.; Banter, V.V. Estimating the cost of new drug development: is it really $802 million. Health Affairs, 2006, 25, 420-428.
3. Kola, I.; Landis, J. Can the pharmaceutical industry reduce attrition rates? Nat. Rev. Drug Discov., 2004, 3, 711-715.
4. DiMasi, J.A. Success rates for new drugs entering clinical testing in the united states. Clin. Pharmacol. Ther., 1995, 58, 1-14.
5. Prentis, R.A.; Lis, Y.; Walker, S.R. Pharmaceutical Innovation by the Seven UK-owned Pharmaceutical Companies (1964-1985). Br. J. Clin. Pharmacol., 1988, 25, 387-396.
6. Lasser, K.E.; Allen, P.D.; Woolhandler, S.J.; Wolfe S.M.; Bor, D.H. Timing of new black box warnings and withdrawals for prescrition medications. J. Am. Med. Assoc., 2002, 17, 2215-2220.
7. Fung, M.; Thornton, A.; Mybeck, K.; Wu, J.H.; Hornbuckle K.; Muniz, E. evaluation of the characteristics of safety withdrawal of prescription drugs from worldwide pharmaceutical market - 1960 to 1999. Drug Inf. J., 2001, 35, 293-317.
8. Andrade, R.J.; Lopez-Ortega, S.; Lopez-Vega, M.C.; Robles, M.; Cueto, I.; Lucena, M. I. Idiosyncratic drug hepatotoxicity: a 2008 update. Exp. Rev. Clin. Pharmacol., 2008, 1, 261-276.
9. Farrell, G.C. Drug-Induced Liver Disease. 1st ed.; Churchill Livingstone: New York, 1994.
10. Zimmerman, H.J. Hepatotoxicity: the adverse effects of drugs and other chemicals on the liver. 2nd ed.; Lippincott Williams & Wilkins: Philadelphia, 1999.
11. Holt, M.P.; Ju, C. Mechanisms of drug-induced liver injury. AAPS J., 2006, 8, E48-E54.
12. Kaplowitz, N. Idiosyncratic drug hepatotoxicity. Nat. Rev. Drug Discov., 2005, 4, 489-499.
13. Lee, W.M. Drug-induced hepatotoxicity. N. Eng. J. Med., 2003, 349, 474-485.
14. Pirmohamed, M.; Brenenridge, A.M.; Kitteringham N.R.; Park, B.K. Adverse drug reactions. BMJ (Clin. Res. Ed.), 1998, 316, 1295-1298.
15. Navarro, V.J.; Senior, J.R. Drug-related Hepatotoxicity. N. Eng. J. Med., 2006, 354, 731-739.
16. Kaplowitz, N. Mechanisms of liver cell injury. J. Hepatol., 2000, 32(Suppl. 1), 39-47.
17. Kaplowitz, N. Drug-induced liver disorders: Implications for drug development and regulation. Drug Saf., 2001, 24, 483-490.
18. Li, A.P. A review of the common properties of drugs with idiosyncratic hepatotoxicity and the "multiple determinant hypothesis" for the manifestation of idiosyncratic drug toxicity. Chem.-Biol. Inter., 2002, 142, 7-23.
19. Pahler, A.; Funk, C. Drug-induced hepatotoxocity: Learning from recent cases of drug attrition. Advance in Molecular Toxicology; Elsevier B. V: Amsterdam, Netherland, 2008; vol. 2, p. 25-52.
20. Ostapowicz, G.; Fontana, R.J.; Schiodt, F.V.; Larson, A.; Davern, T.J.; Han, S.H.B.; McCashland, T.M.; Shakil, A.O.; Hay, J.E.; Hynan, L.; Crippin, J.S.; Blei, A.T.; Samuel, G.; Reisch, J.; Lee, W.M. The U.S. Acute Liver Failure Study Group. Results of a prospective study of acute liver failure at 17 tertiary care centers in the United States. Ann. Intern. Med., 2002, 137, 947-954.
21. Cheng, A.; Dixon Steven, L. In silico models for the prediction of dose-dependent human hepatotoxicity. J. Comput.-Aided Mol. Des., 2003, 17, 811-823.
22. Reineccius, G. Ed. Source Book of Flavors. 2nd ed.; Chapman & Hall: New York, 1994.
23. Coultate, T.P. Food: the Chemistry of its Components. 3rd ed.; The Royal Society of Chemistry: Cambridge, UK, 1996.
24. Stricker, B.H.C. Drug-Induced Hepatic Injury. 2nd ed.; Elsevier: Amsterdam, 1992.
25. Registery of Toxic Effects of Chemical Substances (RTECS). The National Institute for Occupational Safety and Health, Cincinnati, OH, 2002.
26. Toxicology Data Network (TOXNET). U.S. National Library of Medicine: Bethesda, MD, 2002.
27. FDA Generally Recognized as Safe (GRAS) list. U.S. Food and Drug Administration: Rockville, MD, 2002.
28. Burdock. G.A. Ed. Fenaroli's Handbook of Flavor Ingredients. 3rd ed.; CRC Press: Boca Raton, FL, 1995.
29. Physicians' Desk Reference: Electronic Library. 1999.
30. Breiman, L.; Friedman, J.H.; Olshen, R.A.; Stone, C.J. Classification and Regression Trees. Wadsworth International Group: Belmont, CA, 1984.
31. Hawkins, D.M.; Kass, G.V. In Topics in Applied Multivariate Analysis, Hawkins, D.H. Ed.; Cambridge University Press: Cambridge, 1982 ; pp. 269-302.
32. Dixon, S.L.; Villar, H.O. Investigation of classification methods for the prediction of activity in diverse chemical libraries. J. Comput.-Aided Mol. Des., 1999, 13, 533-545.
33. Cerius2, Cerius2, Accelrys: San Diego, CA, 2000.
34. Dixon, S.L.; Merz, K.M. Jr. One-dimensional molecular representations and similarity calculations: methodology and validation. J. Med. Chem., 2001, 44, 3795-3809.
35. Egan, W.J. Zlokarnik, G.; Grootenhuis, P.D.J. In silico prediction of drug safety: despite progress there is abundant room for improvement. Drug Discov. Today Technol., 2004, 1, 381-387.
36. Clark, R.D.; Wolohan, P.R.N.; Hodgkin, E.E.; Kelly, J.H.; Sussman, N.L. Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA. J. Mol. Graph. Modell., 2004, 22, 487-497.
37. Cruz-Monteagudo, M.; Cordeiro, M.N.D.S.; Borges, F. Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity. J. Comput. Chem., 2007, 29, 533-549.
38. Matthews, E.J.; Kruhlak, N.L.; Weaver, J.L.; Benz, R.D.; Contrera, J.F. Assessment of the health effects of chemicals in humans: H. Construction of an adverse effects database for QSAR modeling. Curr. Drug Discov. Technol., 2004, 1, 243-254.
39. Abboud, G.; Kaplowitz, N. Drug-induced liver injury. Drug Saf., 2007, 30, 277-294.
40. Chang, C.Y.; Schiano, T.D. Drug hepatotoxicity. Alim. Pharmacol. Ther., 2007, 25, 1135-1151.
41. Lee, W.M.; Senior, J.R. Recognizing drug-induced liver injury: current problems, possible solutions. Toxicol. Pathol., 2005, 33, 155-164.