HEMET: mathematical model of biochemical pathways for simulation and prediction of HEpatocyte METabolism

Comput Methods Programs Biomed. 2008 Oct;92(1):121-34. doi: 10.1016/j.cmpb.2008.06.004. Epub 2008 Jul 21.

Abstract

Many computer studies and models have been developed in order to simulate cell biochemical pathways. The difficulty of integrating all the biochemical reactions that occur in a cell in a single model is the main reason for the poor results in the prediction and simulation of cell behaviour under different chemical and physical stimuli. In this paper we have translated biochemical reactions into differential equations for the development of modular model of metabolism of a hepatocyte cultured in static and standard conditions (in a plastic multiwell placed in an incubator at 37 degrees C with 5% of CO(2)). Using biochemical equations and energetic considerations a set of non-linear differential equations has been derived and implemented in Simulink. This set of equations mimics some of the principal metabolic pathways of biomolecules present in the culture medium. The software platform developed is subdivided into separate modules, each one describing a different metabolic pathway; they constitute a library which can be used for developing new modules and models to project, predict and validate cell behaviour in vitro.

MeSH terms

  • Algorithms*
  • Cells, Cultured
  • Computer Simulation
  • Hepatocytes / metabolism*
  • Humans
  • Metabolome / physiology*
  • Models, Biological*
  • Proteome / metabolism*
  • Signal Transduction / physiology*
  • Software*

Substances

  • Proteome