Hollan, A. (2018). Modelling the major metabolic pathways of the eukaryotic cell: glycolysis, the citric-acid cycle, and oxidative phosphorylation [Diploma Thesis, Technische Universität Wien]. reposiTUm. https://doi.org/10.34726/hss.2018.45120
E101 - Institut für Analysis und Scientific Computing
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Date (published):
2018
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Number of Pages:
78
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Keywords:
simulation; model; glycolysis; cell
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Abstract:
In this study, a computer program was constructed, which models the main steps of energy production inside the cells of eukaryotic organisms. The sections of the cellular metabolic pathways considered here are glycolysis, the citric acid cycle, and oxidative phosphorylation. Together, these processes are responsible for the conversion of nutrients into chemical energy in, for example, human cells. The resulting computer model aims to be simple to use, while maintaining a considerable level of exibility to allow for customization. Adjustable parameters, such as enzyme kinetics and chemical values, as well as stochastic variables, make it possible to simulate a wide variety of biomedical scenarios. Models such as the one described here may nd use in clinical investigations, as there are several diseases that stem from a malfunctioning cell metabolism. Computer modeling has the potential to improve our understanding of such diseases and can support the assessment of eects that drugs or therapies have on these processes. Experimental results from previous studies were used for the construction and verication of the model. The simulations performed in this work were found to very closely match the behaviour described by the underlying research. The model behaved as expected when the evolution of intermediate concentrations, or its response to varying amounts of oxygen, have been examined. In the cancer model, reducing the activity of the enzyme hexokinase by 87% resulted in a halved energy production capability, compared to the 76% found in a previous study. Furthermore, a reduction of the glucose supply when simulating tumor cell conditions using this model produced a very realistic response when compared to in vivo results found in previous research.