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Volumn 87, Issue 9, 2013, Pages 1725-1737

A physiologically based in silico model for trans-2-hexenal detoxification and DNA adduct formation in human including interindividual variation indicates efficient detoxification and a negligible genotoxicity risk

Author keywords

, Unsaturated aldehydes; DNA adducts; In silico; Physiologically based dynamic (PBD) model; Physiologically based kinetic (PBK) model; Trans 2 Hexenal

Indexed keywords

GLUTATHIONE; GLUTATHIONE TRANSFERASE; HEXOBARBITAL;

EID: 84883558589     PISSN: 03405761     EISSN: 14320738     Source Type: Journal    
DOI: 10.1007/s00204-013-1091-8     Document Type: Article
Times cited : (17)

References (38)
  • 3
    • 47749127353 scopus 로고    scopus 로고
    • The stereochemical course of 4-hydroxy-2-nonenal metabolism by glutathione S-transferases
    • 18424441 10.1074/jbc.M801725200 1:CAS:528:DC%2BD1cXmslOis7g%3D
    • Balogh LM, Roberts AG, Shireman LM, Greene RJ, Atkins WM (2008) The stereochemical course of 4-hydroxy-2-nonenal metabolism by glutathione S-transferases. J Biol Chem 283:16702-16710
    • (2008) J Biol Chem , vol.283 , pp. 16702-16710
    • Balogh, L.M.1    Roberts, A.G.2    Shireman, L.M.3    Greene, R.J.4    Atkins, W.M.5
  • 7
    • 33845641053 scopus 로고    scopus 로고
    • A physiological toxicokinetic model for inhaled propylene oxide in rat and human with special emphasis on the nose
    • DOI 10.1093/toxsci/kfl140
    • Csanady GA, Filser JG (2007) A physiological toxicokinetic model for inhaled propylene oxide in rat and human with special emphasis on the nose. Toxicol Sci 95:37-62 (Pubitemid 44942776)
    • (2007) Toxicological Sciences , vol.95 , Issue.1 , pp. 37-62
    • Csanady, G.A.1    Filser, J.G.2
  • 8
    • 0031413080 scopus 로고    scopus 로고
    • A quantitative property-property relationship (QPPR) approach to estimate in vitro tissue blood partition coefficients of organic chemicals in rats and humans
    • DOI 10.1007/s002040050463
    • DeJongh J, Verhaar HJ, Hermens JL (1997) A quantitative property-property relationship (QPPR) approach to estimate in vitro tissue-blood partition coefficients of organic chemicals in rats and humans. Arch Toxicol 72:17-25 (Pubitemid 28062388)
    • (1997) Archives of Toxicology , vol.72 , Issue.1 , pp. 17-25
    • DeJongh, J.1    Verhaar, H.J.M.2    Hermens, J.L.M.3
  • 9
    • 0034543635 scopus 로고    scopus 로고
    • 2-propanodeoxyguanosine adducts of 2-hexenal in vivo
    • DOI 10.1007/s002040000170
    • 2- propanodeoxyguanosine adducts of 2-hexenal in vivo. Arch Toxicol 74:642-648 (Pubitemid 32010395)
    • (2000) Archives of Toxicology , vol.74 , Issue.10 , pp. 642-648
    • Eder, E.1    Schuler, D.2
  • 10
    • 0027512525 scopus 로고
    • The possible role of α,β-unsaturated carbonyl compounds in mutagenesis and carcinogenesis
    • 8451772 10.1016/0378-4274(93)90048-3 1:CAS:528:DyaK3sXktVars7c%3D
    • Eder E, Scheckenbach S, Deininger C, Hoffman C (1993) The possible role of α,β-unsaturated carbonyl compounds in mutagenesis and carcinogenesis. Toxicol Lett 67:87-103
    • (1993) Toxicol Lett , vol.67 , pp. 87-103
    • Eder, E.1    Scheckenbach, S.2    Deininger, C.3    Hoffman, C.4
  • 12
    • 0028813625 scopus 로고
    • The influence of glutathione and detoxifying enzymes on DNA damage induced by 2-alkenals in primary rat hepatocytes and human lymphoblastoid cells
    • 7703365 10.1021/tx00043a005 1:CAS:528:DyaK2MXjt1Clsrw%3D
    • Eisenbrand G, Schuhmacher J, Golzer P (1995) The influence of glutathione and detoxifying enzymes on DNA damage induced by 2-alkenals in primary rat hepatocytes and human lymphoblastoid cells. Chem Res Toxicol 8:40-46
    • (1995) Chem Res Toxicol , vol.8 , pp. 40-46
    • Eisenbrand, G.1    Schuhmacher, J.2    Golzer, P.3
  • 13
    • 0034103008 scopus 로고    scopus 로고
    • Sensitivity analysis of a physiological model for 2,3,7,8- tetrachlorodibenzo-p-dioxin (TCDD): Assessing the impact of specific model parameters on sequestration in liver and fat in the rat
    • Evans MV, Andersen ME (2000) Sensitivity analysis of a physiological model for 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD): assessing the impact of specific model parameters on sequestration in liver and fat in the rat. Toxicol Sci 54:71-80 (Pubitemid 30152457)
    • (2000) Toxicological Sciences , vol.54 , Issue.1 , pp. 71-80
    • Evans, M.V.1    Andersen, M.E.2
  • 14
    • 0025755332 scopus 로고
    • Aldehydes: Occurrence, carcinogenic potential, mechanism of action and risk assessment
    • 2017217 10.1016/0165-1218(91)90128-9 1:CAS:528:DyaK3MXit1OmsLc%3D
    • Feron VJ, Til HP, de Vrijer F, Woutersen RA, Cassee FR, van Bladeren PJ (1991) Aldehydes: occurrence, carcinogenic potential, mechanism of action and risk assessment. Mutat Res 259:363-385
    • (1991) Mutat Res , vol.259 , pp. 363-385
    • Feron, V.J.1    Til, H.P.2    De Vrijer, F.3    Woutersen, R.A.4    Cassee, F.R.5    Van Bladeren, P.J.6
  • 15
    • 0026658925 scopus 로고
    • A physiologically based pharmacokinetic and pharmacodynamic model to describe the oral dosing of rats with ethyl acrylate and its implications for risk assessment
    • 1609417 10.1016/0041-008X(92)90075-4 1:CAS:528:DyaK38XksVamsL4%3D
    • Frederick CB, Potter DW, Chang-Mateu MI, Andersen ME (1992) A physiologically based pharmacokinetic and pharmacodynamic model to describe the oral dosing of rats with ethyl acrylate and its implications for risk assessment. Toxicol Appl Pharmacol 114:246-260
    • (1992) Toxicol Appl Pharmacol , vol.114 , pp. 246-260
    • Frederick, C.B.1    Potter, D.W.2    Chang-Mateu, M.I.3    Andersen, M.E.4
  • 18
    • 0027536879 scopus 로고
    • A physiologically based pharmacokinetic model for butadiene and its metabolite butadiene monoxide in rat and mouse and its significance for risk extrapolation
    • Johanson G, Filser JG (1993) A physiologically based pharmacokinetic model for butadiene and its metabolite butadiene monoxide in rat and mouse and its significance for risk extrapolation. Arch Toxicol 67:151-163 (Pubitemid 23104868)
    • (1993) Archives of Toxicology , vol.67 , Issue.3 , pp. 151-163
    • Johanson, G.1    Filser, J.G.2
  • 20
    • 84871227990 scopus 로고    scopus 로고
    • A physiologically-based in silico model for trans-2-hexenal detoxification and DNA adduct formation in rat
    • 10.1021/tx3002669
    • Kiwamoto R, Rietjens IMCM, Punt A (2012) A physiologically-based in silico model for trans-2-hexenal detoxification and DNA adduct formation in rat. Chem Res Toxicol 12:2630-2641
    • (2012) Chem Res Toxicol , vol.12 , pp. 2630-2641
    • Kiwamoto, R.1    Rietjens, I.2    Punt, A.3
  • 21
    • 84865377799 scopus 로고    scopus 로고
    • Physiologically based biokinetic (PBBK) modeling of safrole bioactivation and detoxification in humans as compared with rats
    • 22588462 10.1093/toxsci/kfs174 1:CAS:528:DC%2BC38Xht1enu73I
    • Martati E, Boersma MG, Spenkelink A, Khadka DB, van Bladeren PJ, Rietjens IMCM, Punt A (2012) Physiologically based biokinetic (PBBK) modeling of safrole bioactivation and detoxification in humans as compared with rats. Toxicol Sci 128:301-316
    • (2012) Toxicol Sci , vol.128 , pp. 301-316
    • Martati, E.1    Boersma, M.G.2    Spenkelink, A.3    Khadka, D.B.4    Van Bladeren, P.J.5    Rietjens, I.6    Punt, A.7
  • 22
    • 0028362118 scopus 로고
    • In vivo metabolism of butadiene by mice and rats: A comparison of physiological model predictions and experimental data
    • Medinsky MA, Leavens TL, Csanady GA, Gargas ML, Bond JA (1994) In vivo metabolism of butadiene by mice and rats: a comparison of physiological model predictions and experimental data. Carcinogenesis 15:1329-1340 (Pubitemid 24217683)
    • (1994) Carcinogenesis , vol.15 , Issue.7 , pp. 1329-1340
    • Medinsky, M.A.1    Leavens, T.L.2    Csanady, G.A.3    Gargas, M.L.4    Bond, J.A.5
  • 24
    • 77952546103 scopus 로고    scopus 로고
    • A physiologically based biodynamic (PBBD) model for estragole DNA binding in rat liver based on in vitro kinetic data and estragole DNA adduct formation in primary hepatocytes
    • 20144636 10.1016/j.taap.2010.01.016 1:CAS:528:DC%2BC3cXlsFaht70%3D
    • Paini A, Punt A, Viton F, Scholz G, Delatour T, Marin-Kuan M, Schilter B, van Bladeren PJ, Rietjens IMCM (2010) A physiologically based biodynamic (PBBD) model for estragole DNA binding in rat liver based on in vitro kinetic data and estragole DNA adduct formation in primary hepatocytes. Toxicol Appl Pharmacol 245:57-66
    • (2010) Toxicol Appl Pharmacol , vol.245 , pp. 57-66
    • Paini, A.1    Punt, A.2    Viton, F.3    Scholz, G.4    Delatour, T.5    Marin-Kuan, M.6    Schilter, B.7    Van Bladeren, P.J.8    Rietjens, I.9
  • 25
    • 80052320514 scopus 로고    scopus 로고
    • Quantitative comparison between in vivo DNA adduct formation from exposure to selected DNA-reactive carcinogens, natural background levels of DNA adduct formation and tumour incidence in rodent bioassays
    • 21642616 10.1093/mutage/ger022 1:CAS:528:DC%2BC3MXhtFSgsrzO
    • Paini A, Scholz G, Marin-Kuan M, Schilter B, O'Brien J, van Bladeren PJ, Rietjens IMCM (2011) Quantitative comparison between in vivo DNA adduct formation from exposure to selected DNA-reactive carcinogens, natural background levels of DNA adduct formation and tumour incidence in rodent bioassays. Mutagenesis 26:605-618
    • (2011) Mutagenesis , vol.26 , pp. 605-618
    • Paini, A.1    Scholz, G.2    Marin-Kuan, M.3    Schilter, B.4    O'Brien, J.5    Van Bladeren, P.J.6    Rietjens, I.7
  • 26
    • 0026490208 scopus 로고
    • Rates of ethyl acrylate binding to glutathione and protein
    • 1412513 10.1016/0378-4274(92)90031-E 1:CAS:528:DyaK3sXhslOmsA%3D%3D
    • Potter DW, Tran TB (1992) Rates of ethyl acrylate binding to glutathione and protein. Toxicol Lett 62:275-285
    • (1992) Toxicol Lett , vol.62 , pp. 275-285
    • Potter, D.W.1    Tran, T.B.2
  • 27
    • 0027164292 scopus 로고
    • Apparent rates of glutathione turnover in rat tissues
    • DOI 10.1006/taap.1993.1102
    • Potter DW, Tran TB (1993) Apparent rates of glutathione turnover in rat tissues. Toxicol Appl Pharmacol 120:186-192 (Pubitemid 23203322)
    • (1993) Toxicology and Applied Pharmacology , vol.120 , Issue.2 , pp. 186-192
    • Potter, D.W.1    Tran, T.-B.2
  • 29
    • 75249103572 scopus 로고    scopus 로고
    • Evaluation of human interindividual variation in bioactivation of estragole using physiologically based biokinetic modeling
    • 19920071 10.1093/toxsci/kfp272 1:CAS:528:DC%2BC3cXntlGktw%3D%3D
    • Punt A, Jeurissen SM, Boersma MG, Delatour T, Scholz G, Schilter B, van Bladeren PJ, Rietjens IMCM (2010) Evaluation of human interindividual variation in bioactivation of estragole using physiologically based biokinetic modeling. Toxicol Sci 113:337-348
    • (2010) Toxicol Sci , vol.113 , pp. 337-348
    • Punt, A.1    Jeurissen, S.M.2    Boersma, M.G.3    Delatour, T.4    Scholz, G.5    Schilter, B.6    Van Bladeren, P.J.7    Rietjens, I.8
  • 30
    • 0021279862 scopus 로고
    • A physiologically based description of the inhalation pharmacokinetics of styrene in rats and humans
    • Ramsey JC, Andersen ME (1984) A physiologically based description of the inhalation pharmacokinetics of styrene in rats and humans. Toxicol Appl Pharmacol 73:159-175 (Pubitemid 14131618)
    • (1984) Toxicology and Applied Pharmacology , vol.73 , Issue.1 , pp. 159-175
    • Ramsey, J.C.1    Andersen, M.E.2
  • 31
    • 79958071304 scopus 로고    scopus 로고
    • Tutorial on physiologically based kinetic modeling in molecular nutrition and food research
    • 21520492 10.1002/mnfr.201000655 1:CAS:528:DC%2BC3MXmvFCnur8%3D
    • Rietjens IMCM, Louisse J, Punt A (2011) Tutorial on physiologically based kinetic modeling in molecular nutrition and food research. Mol Nutr Food Res 55:941-956
    • (2011) Mol Nutr Food Res , vol.55 , pp. 941-956
    • Rietjens, I.1    Louisse, J.2    Punt, A.3
  • 32
    • 0032588726 scopus 로고    scopus 로고
    • 32P-post-labeling technique
    • DOI 10.1093/carcin/20.7.1345
    • 32P-post-labeling technique. Carcinogenesis 20:1345-1350 (Pubitemid 29341459)
    • (1999) Carcinogenesis , vol.20 , Issue.7 , pp. 1345-1350
    • Schuler, D.1    Eder, E.2
  • 33
    • 42149170575 scopus 로고    scopus 로고
    • Toxicity, DNA binding, and cell proliferation in male F344 rats following short-term gavage exposures to trans-2-hexenal
    • DOI 10.1177/0192623307311758
    • Stout MD, Bodes E, Schoonhoven R, Upton PB, Travlos GS, Swenberg JA (2008) Toxicity, DNA binding, and cell proliferation in male F344 rats following short-term gavage exposures to trans-2-hexenal. Toxicol Pathol 36:232-246 (Pubitemid 351534481)
    • (2008) Toxicologic Pathology , vol.36 , Issue.2 , pp. 232-246
    • Stout, M.D.1    Bodes, E.2    Schoonhoven, R.3    Upton, P.B.4    Travlos, G.S.5    Swenberg, J.A.6
  • 34
    • 0037253723 scopus 로고    scopus 로고
    • Physiologically based pharmacokinetic model parameter estimation and sensitivity and variability analyses for acrylonitrile disposition in humans
    • DOI 10.1093/toxsci/71.1.27
    • Sweeney LM, Gargas ML, Strother DE, Kedderis GL (2003) Physiologically based pharmacokinetic model parameter estimation and sensitivity and variability analyses for acrylonitrile disposition in humans. Toxicol Sci 71:27-40 (Pubitemid 36163703)
    • (2003) Toxicological Sciences , vol.71 , Issue.1 , pp. 27-40
    • Sweeney, L.M.1    Gargas, M.L.2    Strother, D.E.3    Kedderis, G.L.4
  • 37
    • 0024456697 scopus 로고
    • Biological interactions of α,β-unsaturated aldehydes
    • DOI 10.1016/0891-5849(89)90137-8
    • Witz G (1989) Biological interactions of α,β-unsaturated aldehydes. Free Radic Biol Med 7:333-349 (Pubitemid 19234180)
    • (1989) Free Radical Biology and Medicine , vol.7 , Issue.3 , pp. 333-349
    • Witz, G.1
  • 38
    • 36249016829 scopus 로고    scopus 로고
    • A physiologically based pharmacokinetic/pharmacodynamic model for carbofuran in sprague-dawley rats using the exposure-related dose estimating model
    • DOI 10.1093/toxsci/kfm232
    • Zhang X, Tsang AM, Okino MS, Power FW, Knaak JB, Harrison LS, Dary CC (2007) A physiologically based pharmacokinetic/pharmacodynamic model for carbofuran in Sprague-Dawley rats using the exposure-related dose estimating model. Toxicol Sci 100:345-359 (Pubitemid 350131362)
    • (2007) Toxicological Sciences , vol.100 , Issue.2 , pp. 345-359
    • Zhang, X.1    Tsang, A.M.2    Okino, M.S.3    Power, F.W.4    Knaak, J.B.5    Harrison, L.S.6    Dary, C.C.7


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