高等学校化学学报

高等学校化学学报

• 研究论文 • 上一篇    下一篇

丝氨酸组酰胺对5'-pTpTpCp-3'片段切割作用的量子化学计算

刘华鼐1, 王炳峰2, 孙命3, 张雷1   

    1. 华南理工大学化工与能源学院, 广州 510640;
    2. 华南农业大学理学院, 广州 510642;
    3. 中国科学院生物物理研究所, 北京 100101
  • 收稿日期:2006-06-07 修回日期:1900-01-01 出版日期:2007-08-10 发布日期:2007-08-10
  • 通讯作者: 刘华鼐

Quantum Chemistry Calculation on 5'-pTpTpCp-3' Cleavage by Serine/Histamine Amide

LIU Hua-Nai1*, WANG Bing-Feng2, SUN Ming3, ZHANG Lei1   

    1. School of Chemical Enqineering and Energy Engineering, South China University of Technology, Guangzhou 510640,China;
    2. College of Science, South China Agriculture University, Guangzhou 510642, China;
    3. Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101, China
  • Received:2006-06-07 Revised:1900-01-01 Online:2007-08-10 Published:2007-08-10
  • Contact: LIU Hua-Nai

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被引次数

3

摘要： 采用量子化学方法对丝氨酸组酰胺切割5'-pTpTpCp-3'的作用机理进行了研究. 通过计算得到了两者之间形成多氢键作用的有效分子识别模型以及相关分子结构参数. 从理论上解释了丝氨酸组酰胺对5'-pTpTpCp-3'切割的水解机理.

关键词: 丝氨酸组酰胺, 5’-pTpTpCp-3’片段, 切割作用机理

Abstract: A quantum chemistry calculation was carried out to study the mechanism of 5'-pTpTpCp-3' cleavage by the L/D-Ser-Hism. The effective molecular recognition between L/D-Ser-Hism and DNA through multi-hydrogen-bonds and the corresponding structural parameters were obtained. The results could be used to explain the mechanism of DNA cleavage by L/D-Ser-Hism.

Key words: L/D-Ser-Hism, 5’-pTpTpCp-3’segment, Cleavage mechanism

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