On parameter estimation in an in vitro compartmental model for drug-induced enzyme production in pharmacotherapy

Jurjen Duintjer Tebbens; Ctirad Matonoha; Andreas Matthios; Štěpán Papáček

Applications of Mathematics (2019)

  • Volume: 64, Issue: 2, page 253-277
  • ISSN: 0862-7940

Abstract

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A pharmacodynamic model introduced earlier in the literature for in silico prediction of rifampicin-induced CYP3A4 enzyme production is described and some aspects of the involved curve-fitting based parameter estimation are discussed. Validation with our own laboratory data shows that the quality of the fit is particularly sensitive with respect to an unknown parameter representing the concentration of the nuclear receptor PXR (pregnane X receptor). A detailed analysis of the influence of that parameter on the solution of the model's system of ordinary differential equations is given and it is pointed out that some ingredients of the analysis might be useful for more general pharmacodynamic models. Numerical experiments are presented to illustrate the performance of related parameter estimation procedures based on least-squares minimization.

How to cite

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Duintjer Tebbens, Jurjen, et al. "On parameter estimation in an in vitro compartmental model for drug-induced enzyme production in pharmacotherapy." Applications of Mathematics 64.2 (2019): 253-277. <http://eudml.org/doc/294792>.

@article{DuintjerTebbens2019,
abstract = {A pharmacodynamic model introduced earlier in the literature for in silico prediction of rifampicin-induced CYP3A4 enzyme production is described and some aspects of the involved curve-fitting based parameter estimation are discussed. Validation with our own laboratory data shows that the quality of the fit is particularly sensitive with respect to an unknown parameter representing the concentration of the nuclear receptor PXR (pregnane X receptor). A detailed analysis of the influence of that parameter on the solution of the model's system of ordinary differential equations is given and it is pointed out that some ingredients of the analysis might be useful for more general pharmacodynamic models. Numerical experiments are presented to illustrate the performance of related parameter estimation procedures based on least-squares minimization.},
author = {Duintjer Tebbens, Jurjen, Matonoha, Ctirad, Matthios, Andreas, Papáček, Štěpán},
journal = {Applications of Mathematics},
keywords = {pharmacotherapy; pharmacodynamic modelling; constrained optimization; parameter estimation},
language = {eng},
number = {2},
pages = {253-277},
publisher = {Institute of Mathematics, Academy of Sciences of the Czech Republic},
title = {On parameter estimation in an in vitro compartmental model for drug-induced enzyme production in pharmacotherapy},
url = {http://eudml.org/doc/294792},
volume = {64},
year = {2019},
}

TY - JOUR
AU - Duintjer Tebbens, Jurjen
AU - Matonoha, Ctirad
AU - Matthios, Andreas
AU - Papáček, Štěpán
TI - On parameter estimation in an in vitro compartmental model for drug-induced enzyme production in pharmacotherapy
JO - Applications of Mathematics
PY - 2019
PB - Institute of Mathematics, Academy of Sciences of the Czech Republic
VL - 64
IS - 2
SP - 253
EP - 277
AB - A pharmacodynamic model introduced earlier in the literature for in silico prediction of rifampicin-induced CYP3A4 enzyme production is described and some aspects of the involved curve-fitting based parameter estimation are discussed. Validation with our own laboratory data shows that the quality of the fit is particularly sensitive with respect to an unknown parameter representing the concentration of the nuclear receptor PXR (pregnane X receptor). A detailed analysis of the influence of that parameter on the solution of the model's system of ordinary differential equations is given and it is pointed out that some ingredients of the analysis might be useful for more general pharmacodynamic models. Numerical experiments are presented to illustrate the performance of related parameter estimation procedures based on least-squares minimization.
LA - eng
KW - pharmacotherapy; pharmacodynamic modelling; constrained optimization; parameter estimation
UR - http://eudml.org/doc/294792
ER -

References

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