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葡萄糖氧化酶与6-脱氧-D-葡萄糖作用机制的模拟分析

Simulation Analysis of Mechanism of Glucose Oxidase and 6-deoxy-D-glucose
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摘要 葡萄糖氧化酶(GOx)具有多种用途,它是一种氧化还原酶,也是一种需氧脱氢酶,与生命的重要物质葡萄糖和氧有密切联系,且对人体无毒无害。本文基于分子动力学模拟手段,对GOx以及含有底物6-脱氧-D-葡萄糖的GOx复合物分子进行了计算分析,通过分析复合物体系中能量、回转半径、二级结构等相关数据,探究了GOx与底物6-脱氧-D-葡萄糖的催化机理和作用机制。 Glucose oxidase(GOx) has many applications, which is an kind of oxidoreductase, and oxygen dehydrogenase, and closely related to important life substances of glucose and oxygen, and is harmless to human body. The article calculates and analyzes GOx and GOx complexe molecule with substrate of 6-deoxy-D-glucose based on molecular dynamics simulation method, and analyzes relevant data of energy, gyration radius, two level structure of complex system, explores catalytic and effect mechanism of GOx and substrate of 6-deoxy-D-glucose.
作者 赵小水 李成伟 ZHAO Xiao-shui1,LI Cheng-wei2(1. Xiangcheng City No. 1 High School of Henan, Xiangcheng, Henan, 466200; 2. Information Science and Technology School, Xiamen University, Xiamen, Fujian, 36100)
出处 《智慧健康》 2018年第6期143-144,152,共3页 Smart Healthcare
关键词 葡萄糖氧化酶 底物 6-脱氧-D-葡萄糖 分子动力学模拟 Glucose oxidase Substrate 6-deoxy -D- glucose Molecular dynamics simulation
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