酿酒酵母糖酵解途径中酶量变化对乙醇浓度影响的模拟分析

Simulation and Analysis of Ethanol Concentration Response to Enzyme Amount Changes in Saccharomyces cerevisiae Glycolysis Pathway Model

摘要:

代谢组学是系统生物学的一个重要组成部分，应用相关方法获得了大量的数据。如何处理这些数据以及如何将这些数据与其他组学数据结合起来的问题不容忽视。在酶的反应动力学方程中引入“酶量倍数因子”能够解决其中的部分问题。如果反应动力学方程中酶的量发生变化，只需要改变相应的酶量倍数因子的数值。为了观察酿酒酵母糖酵解途径中酶量变化对乙醇浓度的影响，设定了高低两个酶量水平进行计算机模拟，对应的酶量倍数因子分别为10和0.1。基于计算机模拟结果，使用聚类分析方法，12种酶被分为两类。属于第一大类的四种酶ADH、HK、PFK和PDC，均催化不可逆反应。第二大类8种酶中的6种，ALD、GAPDH、GlcTrans、lpPEP、PGI和TIM均催化可逆反应。第二大类中另外两种酶lpGlyc和PK催化不可逆反应。按照这种方法，代谢组和蛋白质组数据能较容易地结合起来对系统作出较全面的分析。

Abstract:

Metabolome has become an important part of Systems Biology, and a large set of data has already gained by applying the methods of metabolome. How to deal with the data and how to combine data of metabolome with data of other omics are problems that can not be ignored. An Enzyme Amount Multiple Factor was imported into the enzyme kinetic equation. When the enzyme amount in the system changed, in silico model, it means to alter the Enzyme Amount Multiple Factor. In order to observe ethanol concentration response to enzyme amount changes in S. cerevisiae glycolysis pathway model, enzyme amount was separately set at high and low level, the corresponding Enzyme Amount Multiple Factor value was 10 and 0.1, relatively. Based on the result of simulation, twelve enzymes in pathway were separated into two classes, classⅠand classⅡ by cluster analysis. The four enzymes belonging to classⅠ, ADH, HK, PFK and PDC, all catalyze irreversible reactions. The six out of eight enzymes belonging to classⅡ, ALD, GAPDH, GlcTrans, lpPEP, PGI and TIM, catalyze reversible reactions. The other two enzymes belonging to classⅡ, lpGlyc and PK, catalyze irreversible reactions. Based on this method, data of metabolome and proteomics are easily integrated to accomplish relatively overall analysis of system properties.