Development of a human Physiologically Based Pharmacokinetic (PBPK) toolkit for environmental pollutants

International Journal of Molecular Sciences

Volumn 12, Issue 11, 2011, Pages 7469-7480

  Ruiz, Patricia ^a   Ray, Meredith ^b   Fisher, Jeffrey ^c   Mumtaz, Moiz ^a  

^a AGENCY FOR TOXIC SUBSTANCES AND DISEASE REGISTRY   (United States)

^b UNIVERSITY OF SOUTH CAROLINA   (United States)

^c NATIONAL CENTER FOR TOXICOLOGICAL RESEARCH   (United States)

Author keywords

Metals; National health and nutrition examination survey (NHANES); PBPK; Toxicokinetic; VOCs; Volatile organic compounds

Indexed keywords

METAL; VOLATILE ORGANIC COMPOUND; HEAVY METAL; POLLUTANT;

ANALYTICAL EQUIPMENT; BIOLOGICAL MONITORING; CONTAMINATION; ENVIRONMENTAL EXPOSURE; PHYSIOLOGICALLY BASED PHARMACOKINETIC; POLLUTANT; POLLUTION MONITORING; PUBLIC HEALTH; REVIEW; SIMULATION; STATISTICAL MODEL; ANALYSIS; BIOLOGICAL MODEL; ENVIRONMENTAL MONITORING; HUMAN; PHARMACOKINETICS; POLLUTION; PROCEDURES; RISK ASSESSMENT;

ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLLUTANTS; ENVIRONMENTAL POLLUTION; HUMANS; METALS, HEAVY; MODELS, BIOLOGICAL; RISK ASSESSMENT; VOLATILE ORGANIC COMPOUNDS;

EID: 82255185824     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms12117469     Document Type: Review

References (40)

1. Reddy, M.; Yang, R.S.; Andersen, M.E.; Clewell, H.J., III. Physiologically Based Pharmacokinetic Modeling: Science and Applications; John Wiley & Sons: New York, NY, USA, 2005.
2. Zhao, P.; Zhang, L.; Grillo, J.A.; Liu, Q.; Bullock, J.M.; Moon, Y.J.; Song, P.; Brar, S.S.; Madabushi, R.; Wu, T.C., et al. Applications of physiologically based pharmacokinetic (PBPK) modeling and simulation during regulatory review. Clin. Pharmacol. Ther. 2011, 89, 259-267.
3. Thompson, C.M.; Sonawane, B.; Barton, H.A.; DeWoskin, R.S.; Lipscomb, J.C.; Schlosser, P.; Chiu, W.A.; Krishnan, K. Approaches for applications of physiologically based pharmacokinetic models in risk assessment. J. Toxicol. Environ. Health B Crit. Rev. 2008, 11, 519-547.
4. Valcke, M.; Krishnan, K. Evaluation of the impact of the exposure route on the human kinetic adjustment factor. Regul. Toxicol. Pharmacol. 2011, 59, 258-269.
5. Krishnan, K.; Carrier, R. Approaches for evaluating the relevance of multiroute exposures in establishing guideline values for drinking water contaminants. J. Environ. Sci. Health C Environ. Carcinog. Ecotoxicol. Rev. 2008, 26, 300-316.
6. 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.
7. 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.
8. Macey, R.I.; Oster, G.F. Berkeley Madonna, Version 8.3.9; University of California at Berkeley: Berkeley, CA, USA, 2006.
9. Ruiz, P.; Mumtaz, M; Osterloh, J.; Fisher, J.; Fowler, B.A. Interpreting NHANES biomonitoring data, cadmium. Toxicol. Lett. 2010, 198, 44-48.
10. Ruiz, P.; Fowler, B.A.; Osterloh, J.D.; Fisher, J.; Mumtaz, M. Physiologically based pharmacokinetic (PBPK) tool kit for environmental pollutants-metals. SAR QSAR Environ. Res. 2010, 21, 603-618.
11. Mumtaz, M.; Ray, M.; Crowell, S.R.; Keys, D.; Fisher, J.; Ruiz, P. Translational research to develop human PBPK models tool-kit-Volatile Organic Compounds (VOCs). J. Toxicol. Environ. Health B Crit. Rev. 2011, 74, 1431-1446.
12. El-Masri, H.A.; Kenyon, E.M. Development of a human physiologically based pharmacokinetic (PBPK) model for inorganic arsenic and its mono- and di-methylated metabolites. J. Pharmacokinet. Pharmacodyn. 2008, 35, 31-68.
13. Carrier, G; Brunet, R.C.; Caza, M.; Bouchard, M. A toxicokinetic model for predicting the tissue distribution and elimination of organic and inorganic mercury following exposure to methyl mercury in animals and humans. I. Development and validation of the model using experimental data in rats. Toxicol. Appl. Pharmacol. 2001, 171, 38-49.
14. Carrier, G.; Bouchard, M.; Brunet, R.C.; Caza, M. A toxicokinetic model for predicting the tissue distribution and elimination of organic and inorganic mercury following exposure to methyl mercury in animals and humans. II. Application and validation of the model in humans. Toxicol. Appl. Pharmacol. 2001, 171, 50-60.
15. Choudhury, H.; Harvey, T.; Thayer, W.C.; Lockwood, T.F.; Stiteler, W.M.; Goodrum, P.E.; Hassett, J.M.; Diamond, G.L. Urinary cadmium elimination as a biomarker of exposure for evaluating a cadmium dietary exposure-biokinetics model. J. Toxicol. Environ. Health A 2001, 63, 321-350.
16. Diamond, G.L.; Thayer, W.C.; Choudhury, H. Pharmacokinetics/pharmacodynamics (PK/PD) modeling of risks of kidney toxicity from exposure to cadmium: estimates of dietary risks in the U.S. population. J. Toxicol. Environ. Health A 2003, 66, 2141-2164.
17. Kjellström, T.; Nordberg, G.F. A kinetic model of cadmium metabolism in the human being. Environ. Res. 1978, 16, 248-269.
18. Yokley, K.; Tran, H.T.; Pekari, K.; Rappaport, S.; Riihimaki, V.; Rothman, N.; Waidyanatha, S.; Schlosser, P.M. Physiologically-based pharmacokinetic modeling of benzene in humans: a Bayesian approach. Risk Anal. 2006, 26, 925-943.
19. Thrall, K.D.; Vucelick, M.E.; Gies, R.A.; Zangar, R.C.; Weitz, K.K.; Poet, T.S.; Springer, D.L.; Grant, D.M.; Benson, J.M. Comparative metabolism of carbon tetrachloride in rats, mice, and hamsters using gas uptake and PBPK modeling. J. Toxicol. Environ. Health A 2000, 60, 531-548.
20. David, R.M.; Clewell, H.J.; Gentry, P.R.; Covington, T.R.; Morgott, D.A.; Marino, D.J. Revised assessment of cancer risk to dichloromethane II: Application of probabilistic methods to cancer risk determinations. Regul. Toxicol. Pharmacol. 2006, 45, 55-65.
21. Covington, T.R.; Gentry P.R.; van Landingham, C.B.; Andersen, M.E.; Kester, J.E.; Clewell, H.J. The use of Markov Chain Monte Carlo Uncertainty Analysis to support a public health goal for perchloroethylene. Regul. Toxicol. Pharmacol. 2007, 47, 1-18.
22. Fisher, J.; Mahle, D.; Abbas, R. A human physiologically based pharmacokinetic model for trichloroethylene and its metabolites, trichoroacetic acid and free trichloroethanol. Toxicol. Appl. Pharmacol. 1998, 152, 339-359.
23. Clewell, H.J.; Gentry, P.R.; Gearhart, J.M.; Allen, B.C.; Andersen, M.E. Comparison of cancer risk estimates for vinyl chloride using animal and human data with a PBPK model. Sci. Total Environ. 2001, 274, 37-66.
24. Grab It XP2; Datatrend Software: Raleigh, NC, USA, 2001.
25. Clewell, H.J.; Gentry, P.R.; Covington, T.R.; Gearhart, J.M. Development of a physiologically based pharmacokinetic model of trichloroethylene and its metabolites for use in risk assessment. Environ. Health Perspect. 2000, 108, 283-305.
26. Clewell, H.J.; Gentry, P.R.; Kester, J.E.; Andersen, M.E. Evaluation of physiologically based pharmacokinetic models in risk assessment: an example with perchloroethylene. Crit. Rev. Toxicol. 2005, 35, 413-433.
27. Brown, R.P.; Delp, M.C.; Lindstedt, S.L.; Rhomberg, L.R.; Beliles, R.P. Physiological parameter values for physiologically based pharmacokinetic models. Toxicol. Ind. Health 1997, 13, 407-484.
28. Cowles, A.L.; Borgstedt, H.H.; Gillies, A.J. Tissue weights and rates of blood flow in man for the prediction of anesthetic uptake and distribution. Anesthesiology 1971, 3, 523-526.
29. Corley, R.A.; Gordon, S.M.; Wallace, L.A. Physiologically based pharmacokinetic modeling of the temperature-dependent dermal absorption of chloroform by humans following bath water exposures. Toxicol. Sci. 2000, 53, 13-23.
30. Poet, T.S.; Weitz, K.K.; Gies, R.A. PBPK Modeling of the percutaneous absorption of perchloroethylene from a soil matrix in rats and humans. Toxicol. Sci. 2002, 67, 17-31.
31. Poet, T.S.; Weitz, K.K.; Gies, R.A.; Edwards, J.A.; Thrall, K.D.; Corley, R.A.; Tanojo, H.; Hui, X.; Maibach, H.I.; Wester, R.C. Assessment of the percutaneous absorption of trichloroethylene in rats and humans using MX/MX real-time breath analysis and physiologically based pharmacokinetic modeling. Toxicol. Sci. 2000, 56, 42-51.
32. Reitz, R.H.; Gargas, M.L.; Andersen, M.E.; Provan, W.F.; Green, T. Predicting cancer risk from vinyl chloride exposure with a physiologically based pharmacokinetic model. Toxicol. Appl. Pharmacol. 1996, 137, 253-267.
33. Fisher, J.; Mahle, D.; Bankston, L.; Greene, R.; Gearhart, J. Lactational transfer of volatile chemicals in breast milk. Am. Ind. Hyg. Assoc. J. 1997, 58, 425-531.
34. Brown, E.A.; Shelley, M.L.; Fisher, J.W. A pharmacokinetic study of occupational and environmental benzene exposure with regard to gender. Risk Anal. 1998, 18, 205-213.
35. Delic, J.I.; Lilly, P.D.; MacDonald, A.J.; Loizou, G.D. The utility of PBPK in the safety assessment of chloroform and carbon tetrachloride. Regul. Toxicol. Pharmacol. 2000, 32, 144-155.
36. Thomas, R.S.; Bigelow, P.L.; Keefe, T.J.; Yang, R.S.H. Variability in biological exposure indices using physiologically based pharmacokinetic modeling and Monte Carlo Simulation. Am. Ind. Hyg. Assoc. J. 1996, 57, 23-32.
37. Morgan, M.G.; Henrion, M. The propagation and analysis of uncertainty. In Uncertainty: A Guide to Dealing with Uncertainty and Quantitative Risk and Policy Analysis; Cambridge University Press: Cambridge, UK, 1990; pp. 172-219.
38. CDC. Fourth National Report on Human Exposure to Environmental Chemicals. Available Online: http://www.cdc.gov/exposurereport (accessed on 18 June 2011).
39. Chou, C.H.S.; Holler, J.; de Rosa, C.T. Minimal risk levels (MRLs) for hazardous substances. J. Clean Technol. Environ. Toxicol. Occup. Med. 1998, 7, 1-24.
40. Agency for Toxic Substances and Disease Registry (ATSDR). Minimal risk levels for priority substances and guidance for derivation. Fed. Regist. 1996, 61, 33511-33520.