莽草酸合酶基因aro家族的生物信息学研究

Evolutionary study of the aro family of shikimate synthase genes based on bioinformatics

关键词:  莽草酸  aro家族  分子对接  进化  生物合成

Key words:  shikimic acid  aro family  Molecular docking  Evolution  biosynthesis

摘要:

本研究梳理了莽草酸生物合成途径及其可能得衍生化，对莽草酸合成的关键酶基因aro家族进行进化分析，三级结构建模及与底物分子对接分析，为进一步的莽草酸生物合成酶筛选奠定基础。本研究成功构建aro家族ML进化树，对aroA、aroB、aroD、aroE、aroG基因进行三级结构建模，并进行分子对接动力学模拟。对aro家族进行信号肽分析及磷酸化位点分析，对其生物合成功能进行判别。

Abstract:

This study reviewed the biosynthetic pathway of shikimic acid and its possible derivatives, analyzed the evolution of the key enzyme gene aro family involved in shikimic acid synthesis, modeled its tertiary structure, and analyzed its docking with substrate molecules, laying the foundation for further screening of shikimic acid biosynthetic enzymes. This study successfully constructed an aro family ML evolutionary tree, modeled the three-level structure of aroA, aroB, aroD, aroE, and aroG genes, and conducted molecular docking dynamics simulations. Perform signal peptide analysis and phosphorylation site analysis on the aro family to distinguish its biosynthetic function.