高等学校化学学报

高等学校化学学报 ›› 2001, Vol. 22 ›› Issue (2): 262.

• 研究论文 • 上一篇    下一篇

锌卟啉对氨基酸甲酯手性分子识别的理论研究

王传忠1, 朱志昂1, 李瑛1, 陈荣悌1, 文欣2, 缪方明2, 陈新滋3   

  1. 1. 南开大学化学系, 天津 300071;
    2. 天津师范大学化学系, 天津 300074;
    3. 香港理工大学不对称合成开放实验室, 香港
  • 收稿日期:1999-11-19 出版日期:2001-02-24 发布日期:2001-02-24
  • 通讯作者: 朱志昂(1939年出生),男,教授,博士生导师,从事手性配合物及不对称催化研究.
  • 基金资助:

    国家自然科学基金(批准号:29871018);南京大学配位化学国家重点实验室资助

Theoretical Study on Chiral Amino Acid Recognition by Zinc(Ⅱ) Porphyrin

WANG Chuan-Zhong1, ZHU Zhi-Ang1, LI Ying1, CHEN Rong-Ti1, WEN Xin2, MIAO Fang-Ming2, CHEN Xin-Zi3   

  1. 1. Department of Chemistry, Nankai University, Tianjin 300071, China;
    2. Department of Chemistry, Tianjin Normal University, Tianjin 300074, China;
    3. Opening Laboratory of Asymmetry Synthesis, The Hongkong Polytechnic University, Hongkong, China
  • Received:1999-11-19 Online:2001-02-24 Published:2001-02-24

PDF (PC)

被引次数

48

摘要： 用Tripos力场和分子力学方法研究了手性锌卟啉的最低能量构象,并用分子动力学模拟了锌卟啉对氨基酸甲酯的识别过程.发现锌卟啉与D氨基酸酯结合能力强于L氨基酸,这与热力学实验结果一致.

关键词: 手性分子识别, 分子力学, 分子动力学模拟

Abstract: The minimal energy conformation of a chiral zinc(Ⅱ) porphyrin was studied by using molecular mechanics method on the basis of Tripos force field. The molecular dynamics simulating was performed to investigate the process of chiral recognition. The result shows that the host molecule prefers to D-amino acid ester, which is consistent with that from the experiment.

Key words: Chiral molecular recognition, Molecular mechanics, Molecular dynamics simulating

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