Thermodynamic free energy map for the non-oxidative glycolysis pathways

Designing reaction pathways that maximize the production of a target compound in a given metabolic network is a fundamental problem in systems biology. In this study, we systematically explore the non-oxidative glycolysis metabolic network, guided by the principle that reactions with negative Gibbs free energy differences are thermodynamically favored. We enumerate alternative pathways that implement the net non-oxidative glycolysis reaction, categorized by their length. Our analysis reveals several alternative thermodynamically favorable pathways beyond the experimentally reported ones. Additionally, we identify molecules within the network, such as 3-hydroxypropionic acid, that may have significant potential for further investigation.

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Publication Details

Journal
Journal of Computer-Aided Molecular Design
Published
2025-06-16
DOI
https://doi.org/10.1007/s10822-025-00604-5
Primary Topic
Microbial Metabolic Engineering and Bioproduction
Type
article
Field-Weighted Citation Impact
0.00

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article

Thermodynamic free energy map for the non-oxidative glycolysis pathways

Adittya Pal
Journal of Computer-Aided Molecular Design
Microbial Metabolic Engineering and Bioproduction
article

Thermodynamic free energy map for the non-oxidative glycolysis pathways

Adittya Pal
article en

Abstract

Designing reaction pathways that maximize the production of a target compound in a given metabolic network is a fundamental problem in systems biology. In this study, we systematically explore the non-oxidative glycolysis metabolic network, guided by the principle that reactions with negative Gibbs free energy differences are thermodynamically favored. We enumerate alternative pathways that implement the net non-oxidative glycolysis reaction, categorized by their length. Our analysis reveals several alternative thermodynamically favorable pathways beyond the experimentally reported ones. Additionally, we identify molecules within the network, such as 3-hydroxypropionic acid, that may have significant potential for further investigation.

Journal of Computer-Aided Molecular DesignVol. 39(1)
Syddansk Innovation (Denmark) (DK)
Syddansk Universitet
Affordable and clean energy
Openalex Percentile: Top 87%
Microbial Metabolic Engineering and Bioproduction
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