parameterize_fetal_pbtk: Parameterize_fetal_PBTK

In httk: High-Throughput Toxicokinetics

Parameterize_fetal_PBTK

Description

This function initializes the parameters needed in the functions solve_fetal_pbtk by calling solve_pbtk and adding additional parameters.

Usage

parameterize_fetal_pbtk(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  species = "Human",
  fetal_fup_adjustment = TRUE,
  return.kapraun2019 = TRUE,
  suppress.messages = FALSE,
  ...
)

Arguments

chem.cas	Either the chemical name or the CAS number must be specified.
chem.name	Either the chemical name or the CAS number must be specified.
dtxsid	EPA's DSSTox Structure ID (http://comptox.epa.gov/dashboard) the chemical must be identified by either CAS, name, or DTXSIDs
species	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human"). Currently only a narrow human model is supported.
fetal_fup_adjustment	Logical indicator of whether to use an adjusted estimate for fetal fup based on the fetal:maternal plasma protein binding ratios presented in McNamara and Alcorn's 2002 study "Protein Binding Predictions in Infants." Defaults to TRUE.
return.kapraun2019	If TRUE (default) the empirical parameters for the Kapraun et al. (2019) maternal-fetal growth parameters are provided.
suppress.messages	Whether or not the output message is suppressed.
...	Arguments passed to parameterize_pbtk.

Value

pre_pregnant_BW	Body Weight before pregnancy, kg.
Clmetabolismc	Hepatic Clearance, L/h/kg BW.
Fgutabs	Fraction of the oral dose absorbed, i.e. the fraction of the dose that enters the gutlumen.
Funbound.plasma	Fraction of plasma that is not bound.
Fhep.assay.correction	The fraction of chemical unbound in hepatocyte assay using the method of Kilford et al. (2008)
hematocrit	Percent volume of red blood cells in the blood.
Kgut2pu	Ratio of concentration of chemical in gut tissue to unbound concentration in plasma.
kgutabs	Rate that chemical enters the gut from gutlumen, 1/h.
Kkidney2pu	Ratio of concentration of chemical in kidney tissue to unbound concentration in plasma.
Kliver2pu	Ratio of concentration of chemical in liver tissue to unbound concentration in plasma.
Klung2pu	Ratio of concentration of chemical in lung tissue to unbound concentration in plasma.
Krbc2pu	Ratio of concentration of chemical in red blood cells to unbound concentration in plasma.
Krest2pu	Ratio of concentration of chemical in rest of body tissue to unbound concentration in plasma.
million.cells.per.gliver	Millions cells per gram of liver tissue.
MW	Molecular Weight, g/mol.
Qgfrc	Glomerular Filtration Rate, L/h/kg BW^3/4, volume of fluid filtered from kidney and excreted.
Rblood2plasma	The ratio of the concentration of the chemical in the blood to the concentration in the plasma from available_rblood2plasma.
Vgutc	Volume of the gut per kg body weight, L/kg BW.
Vkidneyc	Volume of the kidneys per kg body weight, L/kg BW.
Vliverc	Volume of the liver per kg body weight, L/kg BW.
Vlungc	Volume of the lungs per kg body weight, L/kg BW.
Vthyroidc	Volume of the thyroid per kg body weight, L/kg BW.
Kfgut2pu	Ratio of concentration of chemical in fetal gut tissue to unbound concentration in plasma.
Kfkidney2pu	Ratio of concentration of chemical in fetal kidney tissue to unbound concentration in plasma.
Kfliver2pu	Ratio of concentration of chemical in fetal liver tissue to unbound concentration in plasma.
Kflung2pu	Ratio of concentration of chemical in fetal lung tissue to unbound concentration in plasma.
Kfrest2pu	Ratio of concentration of chemical in fetal rest of body tissue to unbound concentration in plasma.
Kfbrain2pu	Ratio of concentration of chemical in fetal brain tissue to unbound concentration in plasma.
Kthyroid2pu	Ratio of concentration of chemical in fetal thyroid tissue to unbound concentration in plasma.
Kfthyroid2pu	Ratio of concentration of chemical in fetal thyroid tissue to unbound concentration in plasma.
Kplacenta2pu	Ratio of concentration of chemical in placental tissue to unbound concentration in maternal plasma.
Kfplacenta2pu	Ratio of concentration of chemical in placental tissue to unbound concentration in fetal plasma.

Author(s)

Robert Pearce, Mark Sfeir, John Wambaugh, and Dustin Kapraun

Mark Sfeir, Dustin Kapraun, John Wambaugh

References

Kilford, P. J., Gertz, M., Houston, J. B. and Galetin, A. (2008). Hepatocellular binding of drugs: correction for unbound fraction in hepatocyte incubations using microsomal binding or drug lipophilicity data. Drug Metabolism and Disposition 36(7), 1194-7, 10.1124/dmd.108.020834.

McNamara PJ, Alcorn J. Protein binding predictions in infants. AAPS PharmSci. 2002;4(1):E4. doi: 10.1208/ps040104. PMID: 12049488.

See Also

solve_fetal_pbtk

parameterize_pbtk

predict_partitioning_schmitt

apply_clint_adjustment

tissue.data

physiology.data

kapraun2019

Examples

 parameters <- parameterize_fetal_pbtk(chem.cas='80-05-7')

 parameters <- parameterize_fetal_pbtk(chem.name='Bisphenol-A',species='Rat')

 

httk documentation built on March 7, 2023, 7:26 p.m.