Evaluating pharmacokinetic and pharmacodynamic interactions with computational models in supporting cumulative risk assessment

International Journal of Environmental Research and Public Health

Volumn 8, Issue 5, 2011, Pages 1613-1630

  Tan, Yu Mei ^a   Clewell, Harvey ^b   Campbell, Jerry ^b   Andersen, Melvin ^b  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b HAMNER INSTITUTES FOR HEALTH SCIENCES   (United States)

Author keywords

Mixture interactions; Pharmacodynamics; Pharmacokinetics; Physiologically based pharmacokinetic pharmacodynamic model

Indexed keywords

1,1,1 TRICHLOROETHANE; BENZENE; BROMOTRICHLOROMETHANE; BUFURALOL; BUNITROLOL; CARBARIL; CARBON TETRACHLORIDE; CARBOXYHEMOGLOBIN; CHLORDECONE; CHLORPYRIFOS; CYTOCHROME P450; DEBRISOQUINE; DIPEPTIDYL CARBOXYPEPTIDASE; ETHYLBENZENE; META XYLENE; METHANOL; MIREX; PARATHION; PHENOBARBITAL; S (1,2 DICHLOROVINYL)CYSTEINE; TETRACHLOROETHYLENE; TOLUENE; TRICHLOROETHYLENE; VINYLIDENE CHLORIDE; VOLATILE ORGANIC COMPOUND;

AREA UNDER THE CURVE; CANCER RISK; CHEMICAL INTERACTION; DRUG INHIBITION; DRUG POTENTIATION; ENZYME INHIBITION; HEALTH HAZARD; HUMAN; HYPOXIA; LIVER TOXICITY; LUNG TOXICITY; MATHEMATICAL MODEL; NEPHROTOXICITY; NEUROTOXICITY; NONHUMAN; OCCUPATIONAL EXPOSURE; PREDICTION; REVIEW; RISK ASSESSMENT; TOXICITY TESTING; TOXICOKINETICS; TOXICOLOGY;

EID: 79957909845     PISSN: None     EISSN: 16604601     Source Type: Journal    
DOI: 10.3390/ijerph8051613     Document Type: Review

References (62)

1. Stork, L.G.; Gennings, C.; Carchman, R.A.; Carter, W.H.; Pounds, J.; Muntaz, M. Testing for additivity at select mixture groups of interest based on statistical equivalence testing methods. Risk Anal. 2006, 26, 1601-1612.
2. ATSDR. Gudiance Manual for the Assessment of Joint Toxic Action of Chemical Mixtures; U.S. Department of Health and Human Services, Agency for Toxic Substances and Disease Registry: Atlanta, GA, USA, 2002.
3. Ragas, M.J.; Oldenkamp, R.; Preeker, N.L.; Wernicke, J.; Schlink, U. Cumulative risk assessment of chemical exposures in urban environments. Environ. Int. 2011, 37, 872-881.
4. Kortenkamp, A.; Faust, M. Combined exposures to anti-androgenic chemicals: Steps towards cumulative risk assessment. Int. J. Androl. 2010, 33, 463-474.
5. Luciene da Silva, M.; Charest-Tardif, G.; Krishnan, K.; Tardif, R. Influence of oral administration of a quaternary mixture of triahlomethanes on their blood kinetics in the rat. Toxicol. Lett. 1999, 106, 49-57.
6. Andersen, M.E.; Dennison, J.E. Mechanistic approaches for mixture risk assessments-present capabilities and future directions. Environ. Toxicol. Pharmacol. 2004, 16, 1-11.
7. Krishnan, K.; Brodeur, J. Toxicological consequences of combined exposure to environmental pollutants. Arch. Complex Environ. Stud. 1991, 3, 1-106.
8. Dennison, J.E.; Bigelow, P.L.; Andersen, M.E. Occupational exposure limits in the context of solvent mixtures, consumption of ethanol, and target tissue dose. Toxicol. Ind. Health 2004, 20, 165-175.
9. Dekant, W. The role of biotransformation and bioactivation in toxicity. Experientia Suppl. 2009, 99, 57-86.
10. Reddy, M.; Yang, R.S.H.; Clewell, H.J.; Andersen, M.E. Physiologically Based Pharmacokinetic Modeling: Science and Applications; John Wiley & Sons Inc.: Hoboken, NJ, USA, 2005.
11. Tardif, R.; Charest-Tardif, G. The importance of measured end-points in demonstrating the occurrence of interactions: A case study with methylchloroform and m-xylene. Toxicol. Sci. 1999, 49, 321-317.
12. Jollow, D.J.; Bruckner, J.V.; McMillan, D.C.; Fisher, J.W.; Hoel, D.G.; Mohr, L.C. Trichloroethylene risk assessment: A review and commentary. Crit. Rev. Toxicol. 2009, 39, 782-797.
13. Caldwell, J.C.; Keshava, N.; Evans, M.V. Difficulty of mode of action determination for trichloroethylene: An example of complex interactions of metabolites and other chemical exposures. Environ. Mol. Mutagen. 2008, 49, 142-154.
14. Dobrev, I.D.; Andersen, M.E.; Yang, R.S. Assessing interaction thresholds for trichloroethylene in combination with tetrachloroethylene and 1,1,1-trichloroethane using gas uptake studies and PBPK modeling. Arch. Toxicol. 2001, 75, 134-144.
15. De Rosa, C.T.; El-Masri, H.A.; Pohl, H.; Cibulas, W.; Mumtaz, M.M. Implications of chemical mixtures in public health practice. J. Toxicol. Environ. Health B Crit. Rev. 2004, 7, 339-350.
16. Dekant, W.; Martens, G.; Vamvakas, S.; Metzler, M.; Henschler, D. Bioactivation of tetrachloroethylene. Role of glutathione S-transferase-catalyzed conjugation versus cytochrome P-450-dependent phospholipid alkylation. Drug Metabol. Dispos. 1987, 15, 702-709.
17. Bruckner, J.V.; Kyle, G.M.; Luthra, R.; Acosta, D.; Mehta, S.M.; Sethuraman, S.; Muralidhara, S. Acute, short-term and subchronic oral toxicity of 1,1,1-trichloroethane in rats. Toxicol. Sci. 2001, 60, 363-372.
18. Andersen, M.E.; Gargas, M.L.; Clewell, H.J.; Severyn, K.M. Quantitative evaluation of the metabolic interaction between trichloroethylene and 1,1-dichloroethylene in vivo using gas uptake methods. Toxicol. Appl. Pharmacol. 1987, 89, 149-157.
19. Jaeger, R.J.; Conolly, R.B.; Murphy, S.D. Effect of 18 hr fast and glutathione depletion on 1,1-dichloroehtylene-induced hepatotoxicity and lethality in rats. Exp. Mol. Pathol. 1974, 20, 187-198.
20. Watanabe, P.G.; Zempel, J.A.; Pegg, D.G.; Gehring, P.J. Hepatic macromolecular binding following exposure to vinyl chloride. Toxicol. Appl. Pharmacol. 1978, 77, 571-579.
21. Purcell, K.J.; Cason, G.H.; Gargas, M.L; Andersen, M.E.; Travis, C.C. In vivo metabolic interactions of benzene and toluene Toxicol. Lett. 1990, 52, 141-152.
22. Tardif, R.; Charest-Tardif, G.; Brodeur, J.; Krishnan, K. Physiologically based pharmacokinetic modeling of a ternary mixture of alkyl benzenes in rats and humans. Toxicol. Appl. Pharmacol. 1997, 144, 120-134.
23. Haddad, S.; Charest-Tardif, G.; Tardif, R.; Krishnan, K. Physiological modeling of the toxicokinetic interactions in a quaternary mixture of aromatic hydrocarbons. Toxicol. Appl. Pharmacol. 1999, 161, 249-257.
24. Haddad, S.; Charest-Tardif, G.; Tardif, R.; Krishnan, K. Validation of a physiological modeling framework for simulating the toxicokinetics of chemicals in mixtures. Toxicol. Appl. Pharmacol. 2000, 167, 199-209.
25. Price, K.; Krishnan, K. An integrated QSAR-PBPK modeling approach for predicting the inhalation toxicokinetics of mixtures of volatile organic chemicals in the rat. SAR QSAR Environ. Res. 2011, 22, 107-128.
26. Dennison, J.E.; Andersen, M.E.; Yang, R.S.H. Characterization of the pharmacokinetics of gasoline using PBPK modeling with a complex mixtures chemical lumping approach. Inhal. Toxicol. 2003, 15, 964-986.
27. ATSDR. Toxicological Profile of Carbon Tetrachloride-Draft; U.S. Department of Health and Human Services, Agency for Toxic Substances and Disease Registry: Atlanta, GA, USA, 2003.
28. Mehendale, H.M. Role of hepatocellular regeneration and hepatolobular healing in the final outcome of liver injury. A two-stage model of toxicity. Biochem. Pharmacol. 1991, 42, 1155-1162.
29. Evans, M.V.; Simmons, J.E. Physiologically based pharmacokinetic estimated metabolic constants and hepatotoxicity of carbon tetrachloride after methanol pretreatment in rats. Toxicol. Appl. Pharmacol. 1996, 140, 245-253.
30. Simmons, J.E.; McDonald, A.; Seely, J.C.; Sey, Y.M. Potentiation of carbon tetrachloride hepatotoxicity by inhaled methanol: Time course of injury and recovery. J. Toxicol. Environ. Health 1995, 46, 203-216.
31. Thakore, K.N.; Gargas, M.L.; Andersen, M.E.; Mehendale, H.M. PB-PK derived metabolic constants, hepatotoxicity, and lethality of BrCCl3 in rats pretreated with chlordecone, phenobarbital or mirex. Toxicol. Appl. Pharmacol. 1991, 109, 514-528.
32. El-Masri, H.; Mumtaz, M.; Yushak, M. Application of physiologically-based pharmacokinetic modeling to investigate the toxicological interaction between chlorpyrifos and parathion in the rat. Environ. Toxicol. Pharmacol. 2004, 16, 57-71.
33. ATSDR. Toxicological Profile of Chlorpyrifos; U.S. Department of Health and Human Services, Agency for Toxic Substances and Disease Registry: Atlanta, GA, USA, 1997.
34. Sultatos, L.G.; Minor, L.D.; Murphy, S.D. Metabolic activation of phosphorothioate pesticides: Role of the liver. J. Pharmacol. Exp. Ther. 1985, 232, 624-628.
35. Sams, C.; Mason, H.J.; Rawbone, R. Evidence for the activation of organophosphate pesticides by cytochromes P450 3A4 and 2D6 in human liver microsomes. Toxicol. Lett. 2000, 116, 217-221.
36. Huff, R.A.; Corcoran, J.J.; Anderson, J.K.; Abou-Donia, M.B. Chlorpyrifos oxon binds directly to muscarinic receptors and inhibits cAMP accumulation in rat striatum. J. Pharmacol. Exp. Ther. 1994, 269, 329-335.
37. Costa, L.G.; McDonald, B.E.; Murphy, S.D.; Omenn, G.S.; Richter, R.J.; Motulsky, A.G.; Furlong, C.E. Serum paraoxonase and its influence on paraoxon and chlorpyrifos-oxon toxicity in rats. Toxicol. Appl. Pharmacol. 1990, 103, 66-76.
38. Mutch, E.; Daly, A.K.; Leathart, J.B; Blain, P.G.; Williams, F.M. Do multiple cytochrome P450 isoforms contribute to parathion metabolism in man? Arch. Toxicol. 2003, 77, 313-320.
39. Timchalk, C.; Poet, T.S. Development of a physiologically based pharmacokinetic and pharmacodynamic model to determine dosimetry and cholinesterase inhibition for a binary mixture of chlorpyrifos and diazinon in the rat. Neurotoxicol. Teratol. 2008, 29, 428-443.
40. Timchalk, C.; Nolan, R.J.; Mendrala, A.L.; Dittenber, D.A; Brzak, K.A.; Mattsson, J.L. A physiologically based pharmacokinetic and pharmacodynamic (PBPK/PD) model for the organophosphate insecticide chlorpyrifos in rats and humans. Toxicol. Sci. 2002, 66, 34-53.
41. Nong, A.; Tan, Y.; Krolski, M.E.; Wang, J.; Lunchick, C.; Conolly, R.B.; Clewell, H.J. Bayesian calibration of a physiologically based pharmacokinetic/pharmacodynamic model of carbaryl cholinesterase inhibition. J. Toxicol. Environ. Health 2008, 71, 1363-1381.
42. Campbell, J.L.; Krishnan, K.; Clewell, H.J.; Andersen, M.E. Kinetic interactions of chemical mixtures. In Principles and Practice of Mixtures Toxicology; Mumtaz, M., Ed.; Wiley: Weinheim, Germany, 2010.
43. Mehendale, H.M. Amplified interactive toxicity of chemicals at nontoxic levels: Mechanistic considerations and implications to public health. Environ. Health Perscept. 1994, 102 (Suppl 9), 139-149.
44. Curtis, L.R.; Williams, W.L.; Mehendale, H.M. Potentiation of the hepatotoxicity of carbon tetrachloride following preexposure to chlordecone (kepone) in the male rat. Toxicol. Appl. Pharmacol. 1979, 51, 283-293.
45. Agarwal, A.K.; Mehendale, H.M. Potentiation of CCl4 hepatotoxicity and lethality by chlordecone in female rats. Toxicology 1983, 26, 231-242.
46. Lockard, V.G.; Mehendale, H.M.; O'Neal, R.M. Chlordecone-induced potentiation of carbon tetrachloride heaptotoxicity: A light and electron microscopic study. Exp. Mol. Pathol. 1983, 39, 230-245.
47. Lockard, V.G.; Mehendale, H.M.; O'Neal, R.M. Chlordecone-induced potentiation of carbon tetrachloride heaptotoxicity: A morphometric and biochemical study. Exp. Mol. Pathol. 1983, 39, 246-255.
48. Mehendale, H.M. Mechanism of the lethal interaction of chlordecone and CCl4 at non-toxic doses. Toxicol. Lett. 1989, 49, 215-241.
49. Kodavanti, P.R.; Kodavanti, U.P.; Faroon, O.M.; Mehendale, H.M. Pivotal role of hepatocellular regeneration in the ultimate hepatotoxicity of CCl4 in chlordecone-, mirex-, or Phenobarbital-pretreated rats. Toxicol. Pathol. 1992, 20, 556-569.
50. Cai, Z.; Mehendale, H.M. Resiliency to amplification of carbon tetrachloride hepatotoxicity by chlordecone during postnatal development in rats. Pediatr. Res. 1993, 33, 225-232.
51. El-Masri, H.A.; Thomas, R.S.; Sabados, G.R.; Phillips, J.K.; Constan, A.A.; Benjamin, S.A.; Andersen, M.E.; Mehendale, H.M.; Yang, R.S. Physiologically based pharmacokinetic/pharmacodynamic modeling of the toxicologic interaction between carbon tetrachloride and kepone. Arch. Toxicol. 1996, 70, 704-713.
52. 29 CFR 1910.1000-Air Contaminants. Code of Federal Regulations-Title 29: Labor; Occupational Safety and Health Administration (OSHA): Washington, DC, USA, 2004.
53. Dennison, J.E.; Bigelow, P.L.; Mumtaz, M.M.; Andersen, M.E.; Dobrev, I.D.; Yang, R.S.H. Evaluation of potential toxicity from co-exposure to three CNS depressants (toluene, ethylbenzene, and xylene) under resting and working conditions using PBPK modeling. J. Occup. Environ. Hyg. 2005, 2, 127-135.
54. Jang, J.Y.; Droz, P.O.; Kim, S. Biological monitoring of workers exposed to ethylbenzene and co-exposed to xylene. Int. Arch. Occup. Environ. Health 2001, 74, 31-37.
55. Dobrev, I.D.; Andersen, M.E.; Yang, R.S.H. In silico toxicology: Simulating interaction thresholds for human exposure to mixtures of trichloroethylene, tetrachloroethylene, and 1,1,1-trichloroethane. Environ. Health Perspect. 2002, 110, 1031-1039.
56. Lash, L.H.; Fisher, J.W.; Lipscomb, J.C.; Parker, J.C. Metabolism of trichloroethylene. Environ. Health Perspect. 2000, 108, 177-200.
57. Haddad, S.; Béliveau, M.; Tardif, R.; Krishnan, K. A PBPK modeling-based approach to account for interactions in the health risk assessment of chemical mixtures. Toxicol. Sci. 2001, 63, 125-131.
58. Haddad, S.; Poulin, P.; Funk, C. Extrapolating in vitro metabolic interactions to isolated perfused liver: Predictions of metabolic interactions between R-Bufuralol, Bunitrolol, and Debrisoquine. J. Pharm. Sci. 2010, 99, 4406-4426.
59. Vossen, M.; Sevestre, M.; Niederalt, C.; Jang, I.; Willmann, S.; Edginton, A. Dynamically simulating the interaction of midazolam and the CYP3A4 inhibitor itraconazole using individual coupled whole-body physiologically-based pharmacokinetic (WB-PBPK) models. Theor. Biol. Med. Model. 2007, 4, 13.
60. Kato, M.; Shitara, Y.; Sato, H.; Yoshisue, K.; Hirano, M.; Ikeda, T.; Sugiyama, Y. The quantitative prediction of CYP-mediated drug interaction by physiologically based pharmacokinetic modeling. Pharmacol. Res. 2008, 25, 1891-1901.
61. Rowland, M.; Peck, C.; Tucker, G. Physiologically-based pharmacokinetics in drug development and regulatory science. Annu. Rev. Pharmacol. Toxicol. 2011, 51, 45-73.
62. Ideker, T.; Galitski, T.; Hood, L. A new approach to decoding life: Systems biology. Annu. Rev. Genom. Hum. Genet. 2001, 2, 343-372.