用新的进展曲线分析工具直接测定单反应的酶动力学参数

Felix K. Bäuerle, Á. Zotter, G. Schreiber
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引用次数: 14

摘要

随着基于计算机的数据拟合方法成为生物化学的标准工具,酶动力学的进程曲线分析是一种可行但很少使用的工具。在这里,我们提出了一个多功能的基于matlab的工具(PCAT)来分析催化过程曲线与三种互补的模型方法。前两个模型基于该问题已知的封闭形式解:第一个模型用解析近似描述所需的Lambert W函数,第二个模型提供Lambert W函数的数值解。第三种模型是对酶动力学的直接模拟。根据所选择的模型,这些工具在速度、精度或初始值要求方面表现出色。通过模拟和实验数据,我们展示了不同拟合模型的优点和缺陷。直接模拟被证明具有最高的精度,但它也需要合理的初始值来收敛。最后,我们提出了从单个过程曲线获得优化酶动力学参数的标准程序。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Direct determination of enzyme kinetic parameters from single reactions using a new progress curve analysis tool
With computer-based data-fitting methods becoming a standard tool in biochemistry, progress curve analysis of enzyme kinetics is a feasible, yet seldom used tool. Here we present a versatile Matlab-based tool (PCAT) to analyze catalysis progress curves with three complementary model approaches. The first two models are based on the known closed-form solution for this problem: the first describes the required Lambert W function with an analytical approximation and the second provides a numerical solution of the Lambert W function. The third model is a direct simulation of the enzyme kinetics. Depending on the chosen model, the tools excel in speed, accuracy or initial value requirements. Using simulated and experimental data, we show the strengths and pitfalls of the different fitting models. Direct simulation proves to have the highest level of accuracy, but it also requires reasonable initial values to converge. Finally, we propose a standard procedure to obtain optimized enzyme kinetic parameters from single progress curves.
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