Development of PBPK model of molinate and molinate sulfoxide in rats and humans

Regulatory Toxicology and Pharmacology

Volumn 53, Issue 3, 2009, Pages 195-204

  Campbell, Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Molinate; PBPK; Rat; Testicular toxicity

Indexed keywords

GLUTATHIONE; MOLINATE; SULFOXIDE; AZEPINE DERIVATIVE; HERBICIDE; MOLINATE SULFOXIDE; THIOCARBAMIC ACID DERIVATIVE;

ANIMAL EXPERIMENT; ANIMAL MODEL; ANIMAL TISSUE; ARTICLE; CONTROLLED STUDY; LIVER; MALE; NONHUMAN; PRIORITY JOURNAL; RAT; REPRODUCTIVE TOXICITY; SIMULATION; SPRAGUE DAWLEY RAT; TESTIS; ANIMAL; BIOLOGICAL MODEL; BLOOD; CHEMICAL STRUCTURE; DOSE RESPONSE; DRUG EFFECTS; HUMAN; INTRAVENOUS DRUG ADMINISTRATION; KIDNEY; METABOLISM; ORAL DRUG ADMINISTRATION; PHYSIOLOGICAL PROCESS; PHYSIOLOGY; PREDICTIVE VALUE; SPECIES DIFFERENCE; TISSUE DISTRIBUTION; TOXICITY;

ADMINISTRATION, ORAL; ANIMALS; AZEPINES; DOSE-RESPONSE RELATIONSHIP, DRUG; HERBICIDES; HUMANS; INJECTIONS, INTRAVENOUS; KIDNEY; LIVER; MALE; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; PHYSIOLOGICAL PHENOMENA; PREDICTIVE VALUE OF TESTS; RATS; RATS, SPRAGUE-DAWLEY; SPECIES SPECIFICITY; SULFOXIDES; TESTIS; THIOCARBAMATES; TISSUE DISTRIBUTION;

RATTUS;

EID: 62549139607     PISSN: 02732300     EISSN: 10960295     Source Type: Journal    
DOI: 10.1016/j.yrtph.2009.01.003     Document Type: Article

References (33)

1. Batten, P.L., Wollen, B.H., Loftus, N.J., Mash, J.R., Wilks, M.F., 1992. Report # CTL/R/1099. Performed by ICI Central Toxicology Laboratory, Alderly Park, Macclesfield, UK.
2. Berger T., and Miller M.G. In vitro fertilization after in vivo treatment of rats with three reproductive toxicants. Horner CM. Reprod. Toxicol. 14 (2000) 45-53
3. Brown R.P., Delp M.D., Lindstedt S.L., Rhomberg L.R., and Beliles R.P. Physiological parameter values for physiologically based pharmacokinetic models. Toxicol. Ind. Health 13 (1997) 407-484
4. Campbell A.R., Holstege D.K., Swezey R.L., and Medina-Cleghorn D. Detoxification of molinate sulfoxide: comparison of spontaneous and enzymatic glutathione conjugation using human and rat liver cytosol. J. Toxicol. Environ. Health., Part A 71 (2008) 1338-1347
5. Campbell, A.R., Craigmill, A.R., Phillips, W.R., Miller, M.G., 2006. PBPK model for a toxic metabolite in extrahepatic tissue: modeling with the testicular toxicant molinate. National Society of Toxicology Meeting Poster, San Diego, CA.
6. Cochran R.C., Formoli T.A., Pfeifer K.F., and Aldous C.N. Characterization of risks associated with the use of molinate. Regul. Toxicol. Pharmacol. 25 (1997) 146-157
7. Craigmill A.L. A physiologically based pharmacokinetic model for oxytetracycline residues in sheep. J. Vet. Pharmacol. Therap. 26 (2003) 55-63
8. Dahana A., Mendelmanb A., Amsilib S., Ezovb N., and Hoffman A. The effect of general anesthesia on the intestinal lymphatic transport of lipophilic drugs: comparison between anesthetized and freely moving conscious rat models. Eur. J. Phar. Sci. 32 (2007) 367-374
9. ® 10G: Acute toxicity studies in rats and rabbits: DPR Vol 228-007 # 945329.
10. 14C-ordram (molinate) in the rat. 1. Balance and tissue residue study. J. Agric. Food Chem. 26 (1978) 1096-1098
11. DeBaun J.R., Bova D.L., Tseng C.K., and Menn J.J. Metabolism of [ring-14C]-Ordram (Molinate) in the rat. 2. Urinary metabolite identification. J. Agric. Food Chem. 26 (1978) 1098-1104
12. Ellis M.K., Richardson A.G., Foster J.R., Smith F.M., Widdowson P.S., Farnworth M.J., Moore R.B., Pitts M.R., and Wickramaratne G.A. Molinate: elucidation of the processes underlying the reproductive effects in the male rat. Toxicol. Appl. Pharmacol. 151 (1998) 22-32
13. Gwynne J.T., Mahaffee D., Brewer Jr. H.B., and Ney R.L. Adrenal cholesterol uptake from plasma lipoproteins: regulation by corticotropin. Proc. Natl. Acad. Sci. USA 73 (1976) 4329-4333
14. Hansch C., and Leo A. The fragment method of calculating partition coefficients. In: Hansch C., and Leo A. (Eds). Substituent Constants for Correlation Analysis in Chemistry and Biology (1979), John Wiley & Sons, New York 18-43
15. International Life Sciences Institute (ILSI) (1994). Physiological Parameter Values for PBPK Models.
16. Jewell W.T., and Miller M.G. Comparison of human and rat metabolism of molinate in liver microsomes and slices. Drug Metab. Dispos. 27 (1999) 842-847
17. Jewell W.T., Hess R.A., and Miller M.G. Testicular toxicity of molinate in the rat: metabolic activation via sulfoxidation. Toxicol. Appl. Pharmacol. 149 (1998) 159-166
18. Jewell W.T., and Miller M.G. Identification of a carboxylesterase as the major protein bound by molinate. Toxicol. Appl. Pharmacol. 149 (1998) 226-234
19. Kavlock R., and Cummings A. Mode of action: reduction of testosterone availability-molinate-induced inhibition of spermatogenesis. Crit. Rev. Toxicol. 35 (2005) 685-690
20. Keys D.A., Wallace D.G., Kepler T.B., and Conolly R.B. Quantitative evaluation of alternative mechanisms of blood and testes disposition of di(2-ethylhexyl) phthalate and mono(2-ethylhexyl) phthalate in rats. Toxicol. Sci. 49 (1999) 172-185
21. Krieger R., Fong H., Frederickson S., Hernandez B., McChesney M., Ross J., Schneider F., and Seiber J. Molinate metabolism differs substantially in humans and rats. The Toxicologist 12 (1992) 418
22. Krishnan K., and Andersen M.E. Physiologically based pharmacokinetic modeling in toxicology. In: Hayes A.W. (Ed). Principles and Methods in Toxicology. third ed. (1994), Raven, New York 148-149
23. Levitt, D.G. 2007. Heterogeneity of human adipose blood flow. BMC Clinical Pharmacology. 7: doi: 10.1186/1472-6904-7-1 http://www.biomedcentral.com/1472-6904/7/1.
24. Lythgoe, R.E., Jones, B.K., Macpherson, D., 1992. Molinate: excretion and blood kinetics in the monkey. ICI Study No.CTL/L/4432 DPR Vol. 228-132 #118003.
25. Medinsky M.A., and Klassen C.D. Toxicokinetics. In: Klaasen C.D. (Ed). Casarett and Doull's Toxicology: The Basic Science of Poisons. fifth ed. (1996), McGraw-Hill, New York 187-198
26. Payne A.H., Quinn P.G., and Stalvey J.R.D. The stimulation of steroid biosynthesis by luteinising hormone. In: Ascoli M. (Ed). Luteinizing Hormone Action and Receptors (1985), CRC Press, Boca Raton, FL 135-173
27. Pettersson S., Söderholm B., Persson J.E., Eriksson S., and Fritjofsson A. Testicular blood flow in man measured with venous occlusion plethysmography and xenon133. Scand. J. Urol. Nephrol. 7 (1973) 115-119
28. Poulin P., and Krishnan K. An algorithm for predicting tissue: blood partition coefficients of organic chemicals from n-octanol:water partition coefficient data. J. Toxicol. Environ. Health 46 (1995) 117-129
29. Simmons J.E., Boyes W.K., Bushnell P.J., Raymer J.H., Limsakun T., McDonald A., Sey Y.M., and Evans M.V. A physiologically based pharmacokinetic model for trichloroethylene in the male long-evans rat. Toxicol Sci. 69 (2002) 3-15
30. Tjeerdema R.S., and Crosby D.G. The biotransformation of molinate in striped bass (Morone saxatilis). Aquat. Toxicol. 9 (1987) 305-317
31. Tomenson J.A., Taves D.R., Cockett A.T., McCusker J., Barraj L., Francis M., Pastoor T.P., and Wickramaratne G.A. An assessment of fertility in male workers exposed to molinate. J. Occup. Environ. Med. 41 (1999) 771-787
32. 3 chains in vivo. Chem. Res. Toxicol. 15 (2002) 209-217
33. Zimmerman L.J., and Valentine H.L. Characterization of S-(N, N-dialkylaminocarbonyl)cysteine: adducts and enzyme inhibition produced by thiocarbamate herbicides in the rat. Chem. Res. Toxicol. 17 (2004) 258-267