酰基转移存在下的脂肪酶1,3-位置选择性影响机理研究

有效调控脂肪酶的1,3-位置选择性对促进酶在有机合成中的应用具有重要意义。在酶促油脂酰基化反应过程中，存在1-甘油单酯（MAG）同2-MAG以及1,2-甘油二酯（DAG）同1,3-DAG（即甘油酯上sn-2位脂肪酸同sn-1位或sn-3位）之间的酰基转移。酰基转移的存在使得脂肪酶1,3-位置选择性影响机理研究更为复杂。本项目拟制备出一系列带有原子示踪标记的模式酰基供体，系统研究在酰基转移存在下，反应介质、水活度以及不同酰基受体等对酶促模式酰基供体酰基化反应过程中脂肪酶1,3-位置选择性的影响特性；进一步采用量子化学计算与全原子模型，揭示在酰基转移存在下脂肪酶1,3-位置选择性的影响机理。相关研究成果将为有效调控脂肪酶的1,3-位置选择性以及促进酶法工艺在有机合成中（如生物柴油以及重要功能性食品1,3-甘油二酯）的应用提供重要理论指导。

Modifying the 1,3-positional specificity of lipase is playing an increasing important role in promoting the application of enzymatic catalysis in organic synthesis. During enzyme-mediated acylating process, the acyl migration between 1-monoglycerid(MAG) and 2-MAG as well as 1,3-diglyceride(DAG) and 1,2-DAG occurrs, which results in the complexity of studying the mechanism of lipase's 1,3-positional specificity. This project is aiming at producing a series of mode acyl donors marked with isotope trace. Based on which, further study will be carried out to explore the effect of reaction medium, water activity and various acyl acceptors on lipase's 1,3-positional specificity accompanied with the existence of competitive acyl migration. Further, molecular simulation will be performed to study the related mechanism. The outcome of this project is expected to provide good guidance for modifying the lipase's 1,3-positional specificity and promote the enzyme-mediated process for biodiesel and 1,3-DAG production.