Physiologically based kinetic models for the alkenylbenzene elemicin in rat and human and possible implications for risk assessment.

S.J. van den Berg, A. Punt, A.E.M.F. Soffers, J.J.M. Vervoort, S. Ngeleja, B. Spenkelink, I.M.C.M. Rietjens

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21 Citations (Scopus)

Abstract

The present study describes physiologically based kinetic (PBK) models for the alkenylbenzene elemicin (3,4,5-trimethoxyallylbenzene) in rat and human, based on the PBK models previously developed for the structurally related alkenylbenzenes estragole, methyleugenol, and safrole. Using the newly developed models, the level of metabolic activation of elemicin in rat and human was predicted to obtain insight in species differences in the bioactivation of elemicin and read across to the other methoxy allylbenzenes, estragole and methyleugenol. Results reveal that the differences between rat and human in the formation of the proximate carcinogenic metabolite 1'-hydroxyelemicin and the ultimate carcinogenic metabolite 1'-sulfoxyelemicin are limited (
Original languageEnglish
Pages (from-to)2352-2367
JournalChemical Research in Toxicology
Volume25
Issue number11
DOIs
Publication statusPublished - 2012

Keywords

  • unscheduled dna-synthesis
  • human liver-microsomes
  • post-labeling analysis
  • biokinetic pbbk model
  • in-vivo metabolism
  • carcinogen 1'-hydroxysafrole
  • alkenebenzene derivatives
  • mouse-liver
  • estragole bioactivation
  • safrole bioactivation

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