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Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model

The metabolic network of a living cell is highly intricate and involves complex interactions between various pathways. In this study, we propose a computational model that integrates glycolysis, the pentose phosphate pathway (PPP), the fatty acids beta-oxidation, and the tricarboxylic acid cycle (TC...

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Autores principales: Kloska, Sylwester M., Pałczyński, Krzysztof, Marciniak, Tomasz, Talaśka, Tomasz, Wysocki, Beata J., Davis, Paul, Wysocki, Tadeusz A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10475038/
https://www.ncbi.nlm.nih.gov/pubmed/37660197
http://dx.doi.org/10.1038/s41598-023-41765-3
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author Kloska, Sylwester M.
Pałczyński, Krzysztof
Marciniak, Tomasz
Talaśka, Tomasz
Wysocki, Beata J.
Davis, Paul
Wysocki, Tadeusz A.
author_facet Kloska, Sylwester M.
Pałczyński, Krzysztof
Marciniak, Tomasz
Talaśka, Tomasz
Wysocki, Beata J.
Davis, Paul
Wysocki, Tadeusz A.
author_sort Kloska, Sylwester M.
collection PubMed
description The metabolic network of a living cell is highly intricate and involves complex interactions between various pathways. In this study, we propose a computational model that integrates glycolysis, the pentose phosphate pathway (PPP), the fatty acids beta-oxidation, and the tricarboxylic acid cycle (TCA cycle) using queueing theory. The model utilizes literature data on metabolite concentrations and enzyme kinetic constants to calculate the probabilities of individual reactions occurring on a microscopic scale, which can be viewed as the reaction rates on a macroscopic scale. However, it should be noted that the model has some limitations, including not accounting for all the reactions in which the metabolites are involved. Therefore, a genetic algorithm (GA) was used to estimate the impact of these external processes. Despite these limitations, our model achieved high accuracy and stability, providing real-time observation of changes in metabolite concentrations. This type of model can help in better understanding the mechanisms of biochemical reactions in cells, which can ultimately contribute to the prevention and treatment of aging, cancer, metabolic diseases, and neurodegenerative disorders.
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spelling pubmed-104750382023-09-04 Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model Kloska, Sylwester M. Pałczyński, Krzysztof Marciniak, Tomasz Talaśka, Tomasz Wysocki, Beata J. Davis, Paul Wysocki, Tadeusz A. Sci Rep Article The metabolic network of a living cell is highly intricate and involves complex interactions between various pathways. In this study, we propose a computational model that integrates glycolysis, the pentose phosphate pathway (PPP), the fatty acids beta-oxidation, and the tricarboxylic acid cycle (TCA cycle) using queueing theory. The model utilizes literature data on metabolite concentrations and enzyme kinetic constants to calculate the probabilities of individual reactions occurring on a microscopic scale, which can be viewed as the reaction rates on a macroscopic scale. However, it should be noted that the model has some limitations, including not accounting for all the reactions in which the metabolites are involved. Therefore, a genetic algorithm (GA) was used to estimate the impact of these external processes. Despite these limitations, our model achieved high accuracy and stability, providing real-time observation of changes in metabolite concentrations. This type of model can help in better understanding the mechanisms of biochemical reactions in cells, which can ultimately contribute to the prevention and treatment of aging, cancer, metabolic diseases, and neurodegenerative disorders. Nature Publishing Group UK 2023-09-02 /pmc/articles/PMC10475038/ /pubmed/37660197 http://dx.doi.org/10.1038/s41598-023-41765-3 Text en © The Author(s) 2023, corrected publication 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Kloska, Sylwester M.
Pałczyński, Krzysztof
Marciniak, Tomasz
Talaśka, Tomasz
Wysocki, Beata J.
Davis, Paul
Wysocki, Tadeusz A.
Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
title Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
title_full Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
title_fullStr Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
title_full_unstemmed Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
title_short Integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
title_sort integrating glycolysis, citric acid cycle, pentose phosphate pathway, and fatty acid beta-oxidation into a single computational model
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10475038/
https://www.ncbi.nlm.nih.gov/pubmed/37660197
http://dx.doi.org/10.1038/s41598-023-41765-3
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