Integration of life-stage physiologically based pharmacokinetic models with adverse outcome pathways and environmental exposure models to screen for environmental hazards

Toxicological Sciences

Volumn 152, Issue 1, 2016, Pages 230-243

  El Masri, Hisham ^a   Kleinstreuer, Nicole ^b   Hines, Ronald N ^a   Adams, Linda ^a   Tal, Tamara ^a   Isaacs, Kristin ^c   Wetmore, Barbara A ^d   Tan, Yu Mei ^c  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^c U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^d ScitoVation   (United States)

Author keywords

AOPs; Developmental toxicology; Environmental toxicology; Life stage; PBPK

Indexed keywords

2 TERT BUTYL 5 [(4 TERT BUTYLPHENYL)METHYLSULFANYL] 4 CHLOROPYRIDAZIN 3 ONE; 3 CHLORO N [3 CHLORO 2,6 DINITRO 4 (TRIFLUOROMETHYL)PHENYL] 5 (TRIFLUOROMETHYL)PYRIDAZIN 2 AMINE; ENVIRONMENTAL CHEMICAL; PERFLUOROOCTANESULFONIC ACID; TRICLOSAN; UNCLASSIFIED DRUG;

ADULT; ADVERSE OUTCOME; ANGIOGENESIS; ARTICLE; CHILD; CONCENTRATION (PARAMETERS); CORRELATION ANALYSIS; DEVELOPMENTAL STAGE; DEVELOPMENTAL TOXICITY; ENVIRONMENTAL EXPOSURE; FEMALE; FETUS; FETUS BLOOD; HEPATIC CLEARANCE; HIGH THROUGHPUT SCREENING; HUMAN; HUMAN EXPERIMENT; IN VITRO STUDY; IN VIVO STUDY; INFANT; MARGIN OF EXPOSURE; MATERNAL EXPOSURE; MATHEMATICAL ANALYSIS; NEWBORN; PARAMETERS; PHARMACOKINETICS; PREGNANCY; TISSUE BLOOD FLOW; TOXICITY TESTING; AGE; BIOLOGICAL MODEL; COMPUTER SIMULATION; DOSE RESPONSE; GESTATIONAL AGE; POLLUTANT; PRENATAL EXPOSURE; RISK ASSESSMENT;

ADULT; AGE FACTORS; COMPUTER SIMULATION; DOSE-RESPONSE RELATIONSHIP, DRUG; ENVIRONMENTAL EXPOSURE; ENVIRONMENTAL POLLUTANTS; FEMALE; GESTATIONAL AGE; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; INFANT, NEWBORN; MATERNAL EXPOSURE; MODELS, BIOLOGICAL; PREGNANCY; PRENATAL EXPOSURE DELAYED EFFECTS; RISK ASSESSMENT;

EID: 84991383667     PISSN: 10966080     EISSN: 10960929     Source Type: Journal    
DOI: 10.1093/toxsci/kfw082     Document Type: Article

References (46)

1. Alcorn, J., and McNamara, P. J. (2003). Pharmacokinetics in the newborn. Adv. Drug Deliv. Rev. 55, 667-686.
2. Ankley, G. T., Bennett, R. S., Erickson, R. J., Hoff, D. J., Hornung, M. W., Johnson, R. D., Mount, D. R., Nichols, J. W., Russom, C. L., Schmieder, P. K., et al. (2010). Adverse outcome pathways: A conceptual framework to support ecotoxicology research and risk assessment. Environ. Toxicol. Chem. 29, 730-741.
3. Agency for Toxic Substances and Disease Registry (ATSDR). (2015). Draft toxicological profile for perfluoroalkyls. In U.S. Department of Health and Human Services. Public Health Services., Atlanta, GA.
4. Barter, Z. E., Bayliss, M. K., Beaune, P. H., Boobis, A. R., Carlile, D. J., Edwards, R. J., Houston, J. B., Lake, B. G., Lipscomb, J. C., Pelkonen, O. R., et al. (2007). Scaling factors for the extrapolation of in vivo metabolic drug clearance from in vitro data: reaching a consensus on values of human microsomal protein and hepatocellularity per gram of liver. Curr. Drug Metab. 8, 33-45.
5. Baschat, A. A. (2006). The fetal circulation and essential organs-a new twist to an old tale. Ultrasound Obstet. Gynecol. 27, 349-354.
6. Brown, R. P., Delp, M. D., Lindstedt, S. L., Rhomberg, L. R., and Beliles, R. P. (1997). Physiological parameter values for physiologically based pharmacokinetic models. Toxicol. Ind. Health 13, 407-484.
7. Clewell, R. A., Merrill, E. A., Gearhart, J. M., Robinson, P. J., Sterner, T. R., Mattie, D. R., and Clewell, H. J. 3rd (2007). Perchlorate and radioiodide kinetics across life stages in the human: using PBPK models to predict dosimetry and thyroid inhibition and sensitive subpopulations based on developmental stage. J. Toxicol. Environ. Health A 70, 408-428.
8. Coulthard, M. G. (1994). Surface area is best estimated from weight alone: pocket calculators and nomograms are unnecessary. Arch. Dis. Child 71, 281.
9. Dawes, G. S. (1968). Foetal blood-gas homeostasis during development. Proc. R.Soc. Med. 61, 1227-1231.
10. Dix, D. J., Houck, K. A., Martin, M. T., Richard, A. M., Setzer, R. W., and Kavlock, R. J. (2007). The ToxCast program for prioritizing toxicity testing of environmental chemicals. Toxicological sciences: an official journal of the Society of Toxicology. 95(1), 5-12.
11. Gentry, P. R., Covington, T. R., and Clewell, H. J. 3rd (2003). Evaluation of the potential impact of pharmacokinetic differences on tissue dosimetry in offspring during pregnancy and lactation. Regul. Toxicol. Pharmacol. 38, 1-16.
12. Goldsmith, M. R., Grulke, C. M., Brooks, R. D., Transue, T. R., Tan, Y. M., Frame, A., Egeghy, P. P., Edwards, R., Chang, D. T., Tornero-Velez, R., et al. (2014). Development of a consumer product ingredient database for chemical exposure screening and prioritization. Food Chem. Toxicol. 65, 269-279.
13. Haugen, G., Kiserud, T., Godfrey, K., Crozier, S., and Hanson, M. (2004). Portal and umbilical venous blood supply to the liver in the human fetus near term. Ultrasound Obstet. Gynecol. 24, 599-605.
14. Hines, R. N. (2008). The ontogeny of drug metabolism enzymes and implications for adverse drug events. Pharmacol. Ther. 118, 250-267.
15. Hines, R. N. (2012). Age-Dependent Expression of Human Drug-Metabolizing Enzymes. In Encyclopedia of Drug Metabolism and Interactions (A. V. Lyubimov, Ed.), pp. 1-24. John Wiley & Sons, Inc., Philadelphia.
16. Hines, R. N. (2013). Developmental expression of drug metabolizing enzymes: Impact on disposition in neonates and young children. Int. J. Pharm. 452, 3-7.
17. Isaacs, K. K., Glen, W. G., Egeghy, P., Goldsmith, M. R., Smith, L., Vallero, D., Brooks, R., Grulke, C. M., and Ozkaynak, H. (2014). SHEDS-HT: an integrated probabilistic exposure model for prioritizing exposures to chemicals with near-field and dietary sources. Environ. Sci. Technol. 48, 12750-12759.
18. Jegier, W., Sekelj, P., Auld, P. A., Simpson, R., and McGregor, M. (1963). The relation between cardiac output and body size. Br. Heart J. 25, 425-430.
19. Judson, R. S., Kavlock, R. J., Setzer, R. W., Hubal, E. A. C., Martin, M. T., Knudsen, T. B., Houck, K. A., Thomas, R. S., Wetmore, B. A., and Dix, D. J. (2011). Estimating toxicity-related biological pathway altering doses for high-throughput chemical risk assessment. Chem. Res. Toxicol. 24, 451-462.
20. Kavlock, R., Chandler, K., Houck, K., Hunter, S., Judson, R., Kleinstreuer, N., Knudsen, T., Martin, M., Padilla, S., Reif, D., et al. (2012). Update on EPA's ToxCast program: providing high throughput decision support tools for chemical risk management. Chem. Res. Toxicol. 25, 1287-1302.
21. Kessler, J., Rasmussen, S., Godfrey, K., Hanson, M., and Kiserud, T. (2011). Venous liver blood flow and regulation of human fetal growth: evidence from macrosomic fetuses. Am. J. Obstet. Gynecol. 204, 429.e1-427.
22. Kessler, J., Rasmussen, S., Hanson, M., and Kiserud, T. (2006). Longitudinal reference ranges for ductus venosus flow velocities and waveform indices. Ultrasound Obstet. Gynecol. 28, 890-898.
23. Kiserud, T., Rasmussen, S., and Skulstad, S. (2000). Blood flow and the degree of shunting through the ductus venosus in the human fetus. Am. J. Obstet. Gynecol. 182, 147-153.
24. Kleinstreuer, N., Dix, D., Rountree, M., Baker, N., Sipes, N., Reif, D., Spencer, R., and Knudsen, T. (2013). A computational model predicting disruption of blood vessel development. PLoS Comput. Biol. 9, e1002996.
25. Kleinstreuer, N. C., Yang, J., Berg, E. L., Knudsen, T. B., Richard, A. M., Martin, M. T., Reif, D. M., Judson, R. S., Polokoff, M., Dix, D. J., et al. (2014). Phenotypic screening of the ToxCast chemical library to classify toxic and therapeutic mechanisms. Nat. Biotechnol. 32, 583-591.
26. Knudsen, T. B., and Kleinstreuer, N. C. (2011). Disruption of embryonic vascular development in predictive toxicology. Birth Defects Res C Embryo Today. 93(4), 312-323.
27. Loccisano, A. E., Longnecker, M. P., Campbell, J. L., Jr., Andersen, M. E., and Clewell, H. J. 3rd (2013). Development of PBPK models for PFOA and PFOS for human pregnancy and lactation life stages. J. Toxicol. Environ. Health A 76, 25-57.
28. Luecke, R. H., Wosilait, W. D., and Young, J. F. (1995). Mathematical representation of organ growth in the human embryo/fetus. Int. J. Biomed. Comput. 39, 337-347.
29. Martin, S. A., McLanahan, E. D., Bushnell, P. J., Hunter, E. S. 3rd, and El-Masri, H. (2015). Species extrapolation of life-stage physiologically-based pharmacokinetic (PBPK) models to investigate the developmental toxicology of ethanol using in vitro to in vivo (IVIVE) methods. Toxicol. Sci. 143, 512-535.
30. Midasch, O., Drexler, H., Hart, N., Beckmann, M. W., and Angerer, J. (2007). Transplacental exposure of neonates to perfluorooctanesulfonate and perfluorooctanoate: a pilot study. Int. Arch. Occup. Environ. Health 80, 643-648.
31. Mielke, G., and Benda, N. (2001). Cardiac output and central distribution of blood flow in the human fetus. Circulation 103, 1662-1668.
32. Poirier, A., Cascais, A. C., Funk, C., and Lave, T. (2009a). Prediction of pharmacokinetic profile of valsartan in human based on in vitro uptake transport data. J. Pharmacokinet. Pharmacodyn. 36, 585-611.
33. Poirier, A., Funk, C., Scherrmann, J. M., and Lave, T. (2009b). Mechanistic modeling of hepatic transport from cells to whole body: Application to napsagatran and fexofenadine. Mol. Pharm. 6, 1716-1733.
34. 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., et al. (2010). Incorporating human dosimetry and exposure into high-throughput in vitro toxicity screening. Toxicol. Sci. 117, 348-358.
35. Rudolph, A. M. (1985). Distribution and regulation of blood flow in the fetal and neonatal lamb. Circ. Res. 57, 811-821.
36. Smith, G. C. S., and Cameron, A. D. (2002). Estimating human fetal blood volume on the basis of gestational age and fetal abdominal circumference. Bjog. 109(6), 721-722.
37. Strikwold, M., Spenkelink, B., Woutersen, R. A., Rietjens, I. M. C. M., and Punt, A. (2013). Combining in vitro embryotoxicity data with physiologically based kinetic (PBK) modelling to define in vivo dose-response curves for developmental toxicity of phenol in rat and human. Arch. Toxicol. 87, 1709-1723.
38. Tal, T. L., McCollum, C. W., Harris, P. S., Olin, J., Kleinstreuer, N., Wood, C. E., Hans, C., Shah, S., Merchant, F. A., Bondesson, M., Knudsen, T. B., Padilla, S., and Hemmer, M. J. (2014). Immediate and long-term consequences of vascular toxicity during zebrafish development. Reprod Toxicol. 48, 51-61.
39. Tayman, C., Rayyan, M., and Allegaert, K. (2011). Neonatal pharmacology: Extensive interindividual variability despite limited size. J. Pediatr. Pharmacol. Ther. 16, 170-184.
40. Trudel, D., Horowitz, L., Wormuth, M., Scheringer, M., Cousins, I. T., and Hungerbuhler, K. (2008). Estimating consumer exposure to PFOS and PFOA. Risk analysis: an official publication of the Society for Risk Analysis. 28(2), 251-269.
41. Valentin, J. (2003). Basic anatomical and physiological data for use in radiological protection: reference values. Published for the International Commission for Radiological Protection (ICRP). Elsevier Science Ltd., Oxford.
42. Veille, J. C., Hanson, R. A., Tatum, K., and Kelley, K. (1993). Quantitative assessment of human fetal renal blood flow. Am. J. Obstet. Gynecol. 169, 1399-1402.
43. Wang, L. Q., Falany, C. N., and James, M. O. (2004). Triclosan as a substrate and inhibitor of 3'-phosphoadenosine 5'-phosphosulfate-sulfotransferase and UDP-glucuronosyl transferase in human liver fractions. Drug Metab. Dispos. 32, 1162-1169.
44. Wetmore, B. A., Allen, B., Clewell, H. J., 3rd, Parker, T., Wambaugh, J. F., Almond, L. M., Sochaski, M. A., and Thomas, R. S. (2014). Incorporating population variability and susceptible subpopulations into dosimetry for highthroughput toxicity testing. Toxicol. Sci. 142, 210-224.
45. Wetmore, B. A., Wambaugh, J. F., Ferguson, S. S., Sochaski, M. A., Rotroff, D. M., Freeman, K., Clewell, H. J., 3rd, Dix, D. J., Andersen, M. E., Houck, K. A., et al. (2012). Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment. Toxicol. Sci. 125, 157-174.
46. Zaya, M. J., Hines, R. N., and Stevens, J. C. (2006). Epirubicin glucuronidation and UGT2B7 developmental expression. Drug Metab. Dispos. 34, 2097-2101.