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A computer model and program for xenobiotic disposition during pregnancy

R H Luecke1, W D Wosilait, B A Pearce

  • 1Department of Chemical Engineering, The University of Missouri-Columbia, 65211, USA.

Computer Methods and Programs in Biomedicine
|July 1, 1997
PubMed
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A new computer model simulates chemical distribution in pregnant mothers and fetuses. This pharmacokinetic model, based on human physiology, predicts chemical concentrations in maternal and embryo/fetal tissues over time.

Area of Science:

  • Pharmacokinetics
  • Computational Biology
  • Toxicology

Background:

  • Understanding chemical disposition during pregnancy is crucial for maternal and fetal health.
  • Existing models may not fully capture the dynamic physiological changes during gestation.
  • Accurate prediction of xenobiotic behavior is essential for risk assessment.

Purpose of the Study:

  • To develop a physiologically based pharmacokinetic (PBPK) computer model for simulating chemical disposition in pregnant mammals.
  • To extend the model to predict chemical concentrations in both maternal and embryo/fetal systems.
  • To validate the model using laboratory animal data and extrapolate to human physiology.

Main Methods:

  • Developed a FORTRAN-based PBPK model incorporating human physiology and adaptable to animal data.

Related Experiment Videos

  • Integrated equations for maternal and embryo/fetal organ volumes, considering developmental age.
  • Modeled distribution, metabolism, and elimination of up to two chemicals, accounting for interactions.
  • Included various routes of administration and maternal physiological changes during pregnancy.

    • Main Results:

    • The model successfully simulates chemical concentrations in maternal and embryo/fetal tissues.
    • Simulations for imipramine/desipramine and methylmercury in rats showed good agreement with observed data.
    • The model, after parameter adjustment for human physiology, predicts human maternal and fetal tissue concentrations.

    Conclusions:

    • The developed PBPK model provides a robust tool for predicting chemical disposition during pregnancy.
    • This model can aid in assessing risks associated with chemical exposure in pregnant individuals and their offspring.
    • The ability to simulate both maternal and fetal exposure is critical for reproductive toxicology studies.