非氧化糖酵解途径的热力学自由能图。

IF 3 3区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Adittya Pal
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引用次数: 0

摘要

在给定的代谢网络中设计最大化目标化合物生产的反应途径是系统生物学的一个基本问题。在这项研究中,我们系统地探索了非氧化糖酵解代谢网络,遵循负吉布斯自由能差的反应在热力学上更受青睐的原则。我们列举了实现净非氧化糖酵解反应的替代途径,按其长度分类。我们的分析揭示了几个替代的热力学有利的途径,超出了实验报道的。此外,我们确定了网络中的分子,如3-羟基丙酸,可能具有进一步研究的重大潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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来源期刊
Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design 生物-计算机:跨学科应用
CiteScore
8.00
自引率
8.60%
发文量
56
审稿时长
3 months
期刊介绍: The Journal of Computer-Aided Molecular Design provides a form for disseminating information on both the theory and the application of computer-based methods in the analysis and design of molecules. The scope of the journal encompasses papers which report new and original research and applications in the following areas: - theoretical chemistry; - computational chemistry; - computer and molecular graphics; - molecular modeling; - protein engineering; - drug design; - expert systems; - general structure-property relationships; - molecular dynamics; - chemical database development and usage.
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