持续性催化酶类机理研究及其分子动力学模拟

酶分子催化机理研究是生命科学研究领域一个重要的问题.近80年来,过渡态理论在解释酶催化机理问题上占据了主导地位,结合热力学循环、锁钥学说、诱导契合学说以及酶活性中心柔性学说等理论,可以很好地解释多种酶分子的催化过程.近年来,随着蛋白质结构解析方法、单分子分析检测技术及计算机模拟技术的发展,人们对酶分子催化机理的认识愈加深刻.但持续性催化酶类的催化动力研究表明,过渡态理论的解释并不充分.本文对酶催化机理研究的相关进展进行了综述,并针对持续性酶类催化动态过程的特点提出了可能的研究方向及可行的研究方法.

How Processive Enzymes Work:the Application of Molecular Dynamics Simulation to Study the Catalytic Mechanism

Enzyme catalytic mechanism is a key issue for the research in life science.In the latest 80 years,transition-state theory plays the predominate role to explain how process occurs,with the combination of thermodynamic cycles,lock-and-key theory,"induced fit" theory and so on.Recently,advances in methods to analyze protein structure,single molecular technology and computational simulation technology provide us a deeper insight into the sources of enzyme catalysis.However,relevant studies on processive enzymes’ mechanism show that the explanation by Transition-state theory is not sufficient.We present an overview of latest research of enzyme catalytic mechanism,and put forward the possible strategies and methods to study processive enzymes’ catalytic process.