Methods for Studying the Thermodynamics of Biotransformations Based on Group Contributions and Maximal Rates

9531787 Mavrovouniotis该项目旨在开发和实施用于生物化学反应和途径的热力学分析的系统技术。 该建议有三个组成部分：（1）标准的确定（生物学）任何生物化学化合物从其结构形成的吉布斯能，基于基团的贡献;（2）标准的测定（生物学）吉布斯能量变化和生物转化的平衡常数，来自相关代谢物中出现的基团;以及（3）将热力学限制转化为对生物反应速率的限制的技术，允许解释热力学对可观察参数的潜在影响。 ***

9531787 Mavrovouniotis This project is aimed at the development and implementation of systematic techniques for the thermodynamic analysis of biochemical reactions and pathways. This proposal has three components: (1) determination of the standard (biological) Gibbs energy of formation of any biochemical compound from its structure, based on contributions of groups; (2) determination of the standard (biological) Gibbs energy change and the equilibrium constant of a biotransformation, from groups that occur in the metabolites involved; and (3) a technique that translates thermodynamic limitations to limitations on bioreaction rates, allowing the interpretation of the potential effect of thrmodynamics on observable parameters. ***