Cutting edge PBPK models and analyses: Providing the basis for future modeling efforts and bridges to emerging toxicology paradigms

Journal of Toxicology

Volumn 2012, Issue , 2012, Pages

  Caldwell, Jane C ^a   Evans, Marina V ^b   Krishnan, Kannan ^c  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^c UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; DOSE CALCULATION; DRUG EXPOSURE; ENVIRONMENTAL EXPOSURE; INTRACELLULAR SIGNALING; MATHEMATICAL MODEL; PRIORITY JOURNAL; RISK ASSESSMENT; TOXICOKINETICS;

EID: 84864910252     PISSN: 16878191     EISSN: 16878205     Source Type: Journal    
DOI: 10.1155/2012/852384     Document Type: Article

References (50)

1. Reddy M., Clewell H. J., Andersen M. E., Yang R. S. H., Physiologically-Based Pharmacokinetic Modeling: Science and Applications 2005 Wiley Inter-Science
2. Krishnan K., Loizou G. D., Spendiff M., Lipscomb J. C., Andersen M. E., Krishnan K., Andersen M. E., PBPK modeling: a primer Quantitative Modeloint in Toxicology 2010 Chichester, UK John Wiley Sons P21 P58
3. Blancato J. N., Evans M. V., Power F. R., Caldwell J. C., Development and use of PBPK modeling and the impact of metabolism on variability in dose metrics for the risk assessment of methyl tertiary butyl ether (MTBE) Journal of Environmental Protection 2008 1 29 51
4. Scheff J. D., Calvano S. E., Lowry S. F., Androulakis I. P., Modeling the influence of circadian rhythms on the acute inflammatory response Journal of Theoretical Biology 2010 264 3 1068 1076
5. Krishnan K., Andersen M. E., Wallace Hayes A., Physiologically-based pharmacokinetic and toxicokinetic modeling Principles and Methods in Toxicology 2007 New York, NY, USA Taylor and Francis 232 291
6. Barton H. A., Chiu W. A., Setzer R. W., Characterizing uncertainty and variability in physiologically-based pharmacokinetic (PBPK) models: state of the science and needs for research and implementation Toxicological Sciences 2007 99 2 395 402 (Pubitemid 351753057)
7. World Health Organization (WHO), Characterization and Application of Physiologically Based Pharmacokinetic Models in Risk Assessment 2010 Geneva, Switzerland World Health Organization, International Programme on Chemical Safety
8. McLanahan E. D., El-Masri H., Sweeney L. M., Physiologically based pharmacokinetic model use in risk assessmentwhy being published is not enough Toxicological Sciences 2012 126 1 5 15
9. U.S. EPA, Approaches for the application of physiologically based pharmacokinetic (PBPK) models and supporting data in risk assessment Final Report 2006 EPA/600/R-05/043A Washington, DC, USA US Environmental Protection Agency
10. Chiu W. A., Barton H. A., DeWoskin R. S., Schlosser P., Thompson C. M., Sonawane B., Lipscomb J. C., Krishnan K., Evaluation of physiologically based pharmacokinetic models for use in risk assessment Journal of Applied Toxicology 2007 27 3 218 237 (Pubitemid 46663416)
11. Anastas P.,. Written testimony by EPAs Assistant Administrator for Research and Development for hearing on EPAs Integrated Risk Information System before the U.S. House of Representatives, Committee on Energy and Commerce, Subcommittee on Environment and Economy, 2011, http://republicans. energycommerce.house.gov/Media/file/Hearings/Environment/100611/Anastas.pdf
12. Gargas M. L., Andersen M. E., Clewell H. J. III, A physiologically based simulation approach for determining metabolic constants from gas uptake data Toxicology and Applied Pharmacology 1986 86 3 341 352 (Pubitemid 17224946)
13. Andersen M. E., Clewell H. J. III, Gargas M. L., Smith F. A., Reitz R. H., Physiologically based pharmacokinetics and the risk assessment process for methylene chloride Toxicology and Applied Pharmacology 1987 87 2 185 205 (Pubitemid 17019104)
14. Evans M. V., Caldwell J. C., Evaluation of two different metabolic hypotheses for dichloromethane toxicity using physiologically based pharmacokinetic modeling for in vivo inhalation gas uptake data exposure in female B6C3F1 mice Toxicology and Applied Pharmacology 2010 244 3 280 290
15. Evans M. V., Caldwell J. C., Response to letter to the Editor by Anders et al Toxicology and Applied Pharmacology 2010 248 1 65 67
16. U.S. EPA, Toxicological review of trichloroethylene CAS 2011 79-01-6 In Support of Summary Information on the Integrated Risk Information System (IRIS)
17. Chiu W. A., Okino M. S., Evans M. V., Characterizing uncertainty and population variability in the toxicokinetics of trichloroethylene and metabolites in mice, rats, and humans using an updated database, physiologically based pharmacokinetic (PBPK) model, and Bayesian approach Toxicology and Applied Pharmacology 2009 241 1 36 60
18. Evans M. V., Chiu W. A., Okino M. S., Caldwell J. C., Development of an updated PBPK model for trichloroethylene and metabolites in mice, and its application to discern the role of oxidative metabolism in TCE-induced hepatomegaly Toxicology and Applied Pharmacology 2009 236 3 329 340
19. Anders M. W., Andersen M. E., Clewell H. J. III, Gargas M. L., Guengerich F. P., Reitz R. H., Evaluation of two different metabolic hypotheses for dichloromethane toxicity using physiologically based pharmacokinetic modeling of in vivo gas uptake data exposure in female B6C3F1 mice Toxicology and Applied Pharmacology 2010 248 1 63 64
20. Health Canada, Human health risk assessment for inhaled manganeseResults of public comments: major comments and responses, 2008. http://www.hc-sc.gc.ca/ ewh-semt/consult/-2008/manganese/result-eng.php
21. OEHHA, California EPA,. Reference exposure levels for acrolein, acetaldehyde, arsenic, mercury, manganese, and formaldehyde, 2008, http://oehha.ca.gov/air/hotspots/2008/AppendixD1final.pdf
22. ATSDR, Toxicological profile for manganese. draft for public comments period ended on February 26, 2009, 2008, http://www.atsdr.cdc.gov/toxprofiles/ tp.asp?id=102tid=23
23. Lu C., Holbrook C. M., Andres L. M., The implications of using a physiologically based pharmacokinetic (PBPK) model for pesticide risk assessment Environmental Health Perspectives 2010 118 1 125 130
24. 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 Journal of Toxicology and Environmental Health B 2008 11 7 519 547 (Pubitemid 351940844)
25. Judson R. S., Mortensen H. M., Shah I., Knudsen T. B., Elloumi F., Using pathway modules as targets for assay development in xenobiotic screening Molecular BioSystems 2012 8 2 531 542
26. Kleinstreuer N. C., Judson R. S., Reif D. M., Environmental impact on vascular development predicted by high-throughput screening Environmental Health Perspectives 2011 119 11 1596 1603
27. Margolin A. A., Califano A., Theory and limitations of genetic network inference from microarray data Annals of the New York Academy of Sciences 2007 1115 51 72 (Pubitemid 350134807)
28. Imura J., Kashima K., Kusano M., Morohoshi T., Peicewise affine systems approach to control of biological networks Philosophical Transactions A 2010 368 1930 4977 4993
29. DeJongh J., Forsby A., Houston J. B., Beckman M., Combes R., Blaauboer B. J., An integrated approach to the prediction of systemic toxicity using computer-based biokinetic models and biological in vitro test methods: overview of a prevalidation study based on the ECITTS Toxicology in Vitro 1999 13 4-5 549 554 (Pubitemid 29354176)
30. Blaauboer B. J., The integration of data on physico-chemical properties, in vitro-derived toxicity data and physiologically based kinetic and dynamic as modelling a tool in hazard and risk assessment. A commentary Toxicology Letters 2003 138 1-2 161 171 (Pubitemid 36139973)
31. Blaauboer B. J., Andersen M. E., The need for a new toxicity testing and risk analysis paradigm to implement REACH or any other large scale testing initiative Archives of Toxicology 2007 81 5 385 387 (Pubitemid 46701597)
32. Forsby A., Blaauboer B., Integration of in vitro neurotoxicity data with biokinetic modelling for the estimation of in vivo neurotoxicity Human and Experimental Toxicology 2007 26 4 333 338 (Pubitemid 46733356)
33. Louisse J., de Jong E., van de Sandt J. J. M., Blaauboer B. J., Woutersen R. A., Piersma A. H., Rietjens I. M. C. M., Verwei M., The use of in vitro toxicity data and physiologically based kinetic modeling to predict dose-response curves for in vivo developmental toxicity of glycol ethers in rat and man Toxicological Sciences 2010 118 2 470 484
34. Edginton A. N., Ahr G., Willmann S., Stass H., Defining the role of macrophages in local moxifloxacin tissue concentrations using biopsy data and Whole-body physiologically based pharmacokinetic modelling Clinical Pharmacokinetics 2009 48 3 181 187
35. Schmitt W., General approach for the calculation of tissue to plasma partition coefficients Toxicology in Vitro 2008 22 2 457 467 (Pubitemid 351163539)
36. Peyret T., Krishnan K., QSARs for PBPK modelling of environmental contaminants SAR and QSAR in Environmental Research 2011 22 1-2 129 169
37. Poulin P., Krishnan K., A biologically-based algorithm for predicting human tissue: blood partition coefficients of organic chemicals Human and Experimental Toxicology 1995 14 3 273 280
38. Poulin P., Krishnan K., Molecular structure-based prediction of the partition coefficients of organic chemicals for physiological pharmacokinetic models Toxicology Methods 1996 6 3 117 137
39. Rodgers T., Leahy D., Rowland M., Tissue distribution of basic drugs: accounting for enantiomeric, compound and regional differences amongst -blocking drugs in rat Journal of Pharmaceutical Sciences 2005 94 6 1237 1248 (Pubitemid 40904188)
40. Rodgers T., Rowland M., Physiologically based pharmacokinetic modelling 2: predicting the tissue distribution of acids, very weak bases, neutrals and zwitterions Journal of Pharmaceutical Sciences 2006 95 6 1238 1257 (Pubitemid 43874439)
41. Peyret T., Poulin P., Krishnan K., A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals Toxicology and Applied Pharmacology 2010 249 3 197 207
42. Thompson M. D., Beard D. A., Physiologically based pharmacokinetic tissue compartment model selection in drug development and risk assessment Journal of Pharmaceutical Sciences 2012 101 1 424 435
43. Lipscomb J. C., Fisher J. W., Confer P. D., Byczkowski J. Z., In vitro to in vivo extrapolation for trichloroethylene metabolism in humans Toxicology and Applied Pharmacology 1998 152 2 376 387 (Pubitemid 28492279)
44. Poulin P., Kenny J. R., Hop C. E., Haddad S., In vitro-in vivo extrapolation of clearance: modeling hepatic metabolic clearance of highly bound drugs and comparative assessment with existing calculation methods Journal of Pharmaceutical Sciences 2012 101 2 838 851
45. Rotroff D. M., Wetmore B. A., Dix D. J., Ferguson S. S., Clewell H. J., Houck K. A., LeCluyse E. L., Andersen M. E., Judson R. S., Smith C. M., Sochaski M. A., Kavlock R. J., Boellmann F., Martin M. T., Reif D. M., Wambaugh J. F., Thomas R. S., Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening Toxicological Sciences 2010 117 2 348 358
46. Wetmore B. A., Wambaugh J. F., Ferguson S. S., Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment Toxicological Sciences 2012 125 1 157 174
47. Clewell H. J., Andersen M. E., Applying mode-of-action and pharmacokinetic considerations in contemporary cancer risk assessments: an example with trichloroethylene Critical Reviews in Toxicology 2004 34 5 385 445 (Pubitemid 39350535)
48. Moolgavkar S. H., Biologically motivated two-stage model for cancer risk assessment Toxicology Letters 1988 43 13 139 150
49. Crump K. S., Chen C., Chiu W. A., Louis T. A., Portier C. J., Subramaniam R. P., White P. D., What role for biologically based dose-response models in estimating low-dose risk? Environmental Health Perspectives 2010 118 5 585 588
50. Luke N. S., Sams R., DeVito M. J., Conolly R. B., El-Masri H. A., Development of a quantitative model incorporating key events in a hepatotoxic mode of action to predict tumor incidence Toxicological Sciences 2010 115 1 253 266