A multicompartment liver-based pharmacokinetic model for benzene and its metabolites in mice

Bulletin of Mathematical Biology

Volumn 72, Issue 3, 2010, Pages 507-540

  Manning, Cammey C ^a,c   Schlosser, Paul M ^b   Tran, Hien T ^c  

^a MEREDITH COLLEGE   (United States)

^b CIIT CENTERS FOR HEALTH RESEARCH   (United States)

^c NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

Benzene metabolism model; Existence and uniqueness; Inverse problems; Ordinary differential equations

Indexed keywords

BENZENE; CYTOCHROME P450 2E1; GLUTATHIONE;

ANIMAL; ARTICLE; BIOLOGICAL MODEL; ENZYMOLOGY; LIVER; METABOLISM; MOUSE;

ANIMALS; BENZENE; CYTOCHROME P-450 CYP2E1; GLUTATHIONE; LIVER; MICE; MODELS, BIOLOGICAL;

MUS;

EID: 77952672320     PISSN: 00928240     EISSN: 15229602     Source Type: Journal    
DOI: 10.1007/s11538-009-9459-x     Document Type: Article

References (55)

1. Andersen, M. E., Eklund, C. R., Mills, J. J., Barton, H. A., Birnbaum, L. S., 1997. A multicompartment geometric model of the liver in relation to regional induction of cytochrome P450s. Toxicol. Appl. Pharmacol. 144, 135-144.
2. 3H-Benzene metabolism in rabbit bone marrow. Life Sci. 25, 567-572.
3. Arms, A. D., Travis, C. C., 1998. Reference physiological parameters in pharmacokinetic modeling. Technical report, Office of Risk Analysis, Oak Ridge National Laboratory.
4. Banks, H. T., Kunisch, K., 1989. Estimation Techniques for Distributed Parameter Systems. Birkhäuser, Basel.
5. Banks, H. T., Cole, C. E., Schlosser, P. M., Tran, H. T., 2004. Modeling and optimal regulation of erythropoiesis subject to benzene intoxication. Math. Biosci. Eng. 1(1), 15-48.
6. Bergman, K., 1979. Whole-body autoradiography and allied tracer techniques in distribution and elimination studies of some organic solvents: benzene, toluene, xylene, styrene, methylene chloride, chloroform, carbon tetrachloride and trichloroethylene. Scand. J. Work Environ. Health 5(Suppl. 1), 1-263.
7. Chaney, A. M., Carlson, G. P., 1995. Comparison of rat hepatic and pulmonary microsomal metabolism of benzene and the lack of benzene-induced pneumotoxicity and hepatotoxicity. Toxicology 104, 53-62.
8. Cole, C. E., Tran, H. T., Schlosser, P. M., 2001. Physiologically based pharmacokinetic modeling of benzene metabolism in mice through extrapolation from in vitro to in vivo. J. Toxicol. Environ. Health, 439-465.
9. de Waziers, I., Cugnenc, P. H., Lang, C. S., Leroux, J.-P., Beaune, P. H., 1990. Cytochrome P 450 isoenzymes, epoxide hydrolase and glutathione transferases in rat and human hepatic and extrahepatic tissues. J. Pharmacol. Exp. Ther. 253, 387-394.
10. Eastmond, D. A., Smith, M. T., Ruzo, L. O., Ross, D., 1986. Metabolic activation of phenol by human myeloperoxidase and horseradish peroxidase. Mol. Pharmacol. 30, 674-679.
11. el Mouelhi, M., Kauffman, F. C., 1986. Sublobular distribution of transferases and hydrolases associated with glucuronide, sulfate and glutathione conjugation in human liver. Hepatology 6, 450-456.
12. Gebhardt, R., 1992. Metabolic zonation of the liver: regulation and implications for liver function. Pharmacol. Ther. 53, 275-354.
13. 14C-labelled benzene metabolites in the rat. Chem. Biol. Interact. 33, 285-299.
14. Greenlee, W. F., Sun, J. D., Bus, J. S., 1981b. A proposed mechanism of benzene toxicity: Formation of reactive intermediates from polyphenol metabolites. Toxicol. Appl. Pharmacol. 59, 187-195.
15. Gut, I., Nedelcheva, V., Soucek, P., Stopka, P., Tichavská, B., 1996. Cytochromes p450 in benzene metabolism and involvement of their metabolites and reactive oxygen species in toxicity. Environ. Health Perspect. 104(Suppl. 6), 1211.
16. Henderson, A. P., Barnes, M. L., Bleasdale, C., Cameron, R., Clegg, W., Heath, S. L., Lindstrom, A. B., Rappaport, S. M., Waidyanatha, S., Watson, W. P., Golding, B. T., 2005. Reactions of benzene oxide with thiols including glutathione. Chem. Res. Toxicol. 18, 265-270.
17. 14C]phenol in the isolated perfused mouse liver. Toxicol. Sci. 49, 40-47.
18. ILSI, 1994. Physiological Parameter Values for PBPK Models. International Life Sciences Institute, Risk Sciences Institute.
19. Ingelman-Sundberg, M., Johansson, I., Penttilä, K. E., Glaumann, H., Lindros, K. O., 1988. Centrilobular expression of ethanol-inducible cytochrome P-450 (iie1) in rat liver. Biochem. Biophys. Res. Commun. 157, 55-60.
20. Kalf, G., 1987. Recent advances in the metabolism and toxicity of benzene. CRC Crit. Rev. Toxicol. 18, 141-159.
21. Kedderis, G. L., Teo, S. K., Batra, R., Held, S. D., Gargas, M. L., 1996. Refinement and verification of the physiologically based dosimetry description for acrylonitrile in rats. Toxicol. Appl. Pharmacol. 140, 422-435.
22. Kelley, C. T., 1999. Iterative Methods for Optimization. SIAM, Philadelphia.
23. 1 mice. J. Toxicol. Environ. Health 44, 219-233.
24. Koop, D. R., Laethem, C. L., Schnier, G. G., 1989. Identification of ethanol-inducible P450 isozyme 3a (P450IIE1) as a benzene and phenol hydroxylase. Toxicol. Appl. Pharmacol. 98, 278-288.
25. Lamers, W. H., Hilberts, A., Furt, E., Smith, J., Jonges, G. N., van Noorden, C. J. F., Janzen, J. W. G., Charles, R., Moorman, A., 1989. Hepatic enzymic zonation: A reevaluation of the concept of the liver acinus. Hepatology 10(1), 72-76.
26. Lee, C.-Y. G., 1984. Multiple forms of mouse glutathione s-transferase. Biochem. Soc. Trans. 12, 30-33.
27. Legathe, A., Hoener, B.-A., Tozer, T. N., 1994. Pharmacokinetic interaction between benzene metabolites, phenol and hydroquinone, in B6C3F1 mice. Toxicol. Appl. Pharmacol. 124, 131-138.
28. Leung, H.-W., Poland, A., Paustenbach, D. J., Jay Murray, F., Andersen, M. E., 1990. Pharmacokinetics of [125I]-2-Iodo-3, 7, 8-trichlorobenzo-p-dioxin in mice: Analysis with a physiological modeling approach. Toxicol. Appl. Pharmacol. 103, 411-419.
29. Lindstrom, A. B., Yeowell-O'Connell, K., Waidyanatha, S., Golding, B. T., Tornero-Velez, R., Rappaport, S. M., 1997. Measurement of benzene oxide in the blood of rats following administration of benzene. Carcinogenesis 18, 1637-1641.
30. Lipscomb, J. C., Teuschler, L. K., Swartout, J., Popken, D., Cox, T., Kedderis, G. L., 2003. The impact of cytochrome P450 2E1-dependent metabolic variance on a risk-relevant pharmacokinetic outcome in humans. Risk Anal. 23, 1221-1238.
31. Lovern, M. R., Maris, M. E., Schlosser, P. M., 1999. Use of a mathematical model of rodent in vitro benzene metabolism to predict human in vitro metabolism data. Carcinogenesis 20, 1511-1520.
32. MacEachern, L., Snyder, R., Laskin, D., 1992. Alterations in the morphology and functional activity of bone marrow phagocytes following benzene treatment in mice. Toxicol. Appl. Pharmacol. 117, 147-154.
33. Mainwaring, G. M., Williams, S. M., Foster, J. R., Tugwood, J., Green, T., 1996. The distribution of theta-class glutathione s-transferases in the liver and lung of mouse, rat and human. Biochem. J. 318, 297-303.
34. Maltoni, C., Conti, B., Cotti, G., 1983. Benzene: A multipotential carcinogen. Results of long-term bioassays performed at the Bologna institute of oncology. Am. J. Ind. Med. 4, 589-630.
35. Maltoni, C., Conti, B., Cotti, G., Belpoggi, F., 1985. Experimental studies on benzene carcinogenicity at the Bologna institute of oncology: Current results and ongoing research. Am. J. Ind. Med. 7, 415-446.
36. Mathews, J. M., Etheridge, A. S., Matthews, H. B., 1998. Dose-dependent metabolism of benzene in hamsters, rats, and mice. Toxicol. Sci. 44, 14-21.
37. Medinsky, M. A., Kenyon, E., Seaton, M. J., Schlosser, P. M., 1996. Mechanistic considerations in benzene physiological model development. Environ. Health Perspect. 104(Supplement 6), 1399-1404.
38. Medinsky, M. A., Sabourin, P. J., Lucier, G., Birnbaum, L. S., Henderson, R. F., 1989. A physiological model for simulation of benzene metabolism in rats and mice. Toxicol. Appl. Pharmacol. 99, 193-206.
39. Medinsky, M. A., Leavens, T. L., Csanady, G. A., Gargas, M. L., Bond, J. A., 1994. In vivo metabolism of butadiene by mice and rats: A comparison of physiological model predictions and experimental data. Carcinogenesis 15, 1329-1340.
40. Medinsky, M. A., Kenyon, E. M., Schlosser, P. M., 1995. Benzene: A case study in parent chemical and metabolite interactions. Toxicology 105, 225-233.
41. Nedelcheva, V., Gut, I., Soucek, P., Tichavska, B., Tynkova, L., Mraz, J., Guengerich, F. P., Indelman-Sundberg, M., 1999. Metabolism of benzene in human liver microsomes: Individual variations in relation to CYP2E1 expression. Arch. Toxicol. 73, 33-40.
42. 1] benzene. J. Biochem. 54, 231-238.
43. Parkinson, A., 1996. Biotransformation of xenobiotics. In: Klaassen, C. D. (Ed.), Casarett and Doull's Toxicology: The Basic Science of Poisons, 5th edn., pp. 113-186. McGraw-Hill, Inc., New York.
44. Poulin, P., Krishnan, K., 1995a. An algorithm for predicting tissue: blood partition coefficients of organic chemicals from n-octanol: water partition coefficient data. J. Toxicol. Environ. Health 46, 117-129.
45. Poulin, P., Krishnan, K., 1995b. A biologically-based algorithm for predicting human tissue: blood partition coefficients of organic chemicals. Human Exp. Toxicol. 14, 273-280.
46. Robinson, C., 1995. Dynamical Systems: Stability, Dynamics, and Chaos. CRC Press, Inc., Boca Raton.
47. 14C] benzene administered orally or by inhalation in rats and mice. Toxicol. Appl. Pharmacol. 87, 325-336.
48. 1 mice. Toxicol. Appl. Pharmacol. 94, 128-140.
49. Sabourin, P. J., Bechtold, W. E., Griffith, W. C., Birnbaum, L. S., Lucier, G., Henderson, R. F., 1989. Effect of exposure concentration, exposure rate, and route of administration on metabolism of benzene by F344 rats and B6C3F1 mice. Toxicol. Appl. Pharmacol. 99, 421-444.
50. Schlosser, P. M., Bond, J. A., Medinsky, M. A., 1993. Benzene and phenol metabolism by mouse and rat liver microsomes. Carcinogenesis 14, 2477-2486.
51. Seaton, M. J., Schlosser, P. M., Medinsky, M. A., 1995. In vitro conjugation of benzene metabolites by human liver: Potential influence of interindividual variability on benzene toxicity. Carcinogenesis 16, 1519-1527.
52. Steiner, E. C., Rey, T. D., McCroskey, P. S., 1990. Simusolv Reference Guide. Dow Chemical Company, Midland.
53. Tsutsumi, M., Lasker, J. M., Shimizu, M., Rosman, A. S., Lieber, C. S., 1989. The intralobular distribution of ethanol-inducible P450IIE1 in rat and human liver. Hepatology 10, 437-446.
54. Wallace, L., 1990. Major sources of exposure to benzene and other volatile organic chemicals. Risk Anal. 10, 59-64.
55. Yardley-Jones, A., Anderson, D., Parke, D. V., 1991. The toxicity of benzene and its metabolism and molecular pathology in human risk assessment. Br. J. Ind. Med. 48, 437-444.