物理化学学报 >> 1992, Vol. 8 >> Issue (03): 389-393.doi: 10.3866/PKU.WHXB19920319

研究论文 上一篇    下一篇

胆汁酸盐-胆红素-钙离子三元复合物的构象性质

卓济苍; 胡加平; 王夔   

  1. 北京医科大学药学院天然药物及仿生药物实验室,北京 100083
  • 收稿日期:1990-11-13 修回日期:1991-11-02 发布日期:1992-06-15
  • 通讯作者: 卓济苍

Conformation of Bile Salt-Bilirubin-Ca2+ Ternary Complexes

Zhuo Ji-Cang; Hu Jia-Ping; Wang Kui   

  1. Research Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Beijing Medical University, Beijing 100083
  • Received:1990-11-13 Revised:1991-11-02 Published:1992-06-15
  • Contact: Zhuo Ji-Cang

摘要: 根据九种胆汁酸盐-胆红素-钙离子三元体系的UV和CD实验所见, 提出一种所形成的三元复合物的构象模型。利用PPP-SCF-CI-DV量子化学程序拟合有关的UV和CD谱, 研究三元复合物的构象性质。得到两类六种与光谱学实验符合的胆红素分子的最佳构象。利用它们可以解释九种胆汁酸盐-胆红素-钙离子三元复合物表现在园二色谱中的手性性质。

关键词: 三元复合物, 最佳构象, 手性性质

Abstract: In this paper, according to UV and CD experiments of nine different bile saltbilirubin-Ca~(2+) ternary systems, a conformational model of the resulted ternary complexes was suggested. In order to clarify their conformations, UV and CD spectra of these ternary complexes have been simulated by means of "PPP-SCG-CI-DV", quantum chemical programme. Six optimum conformations may be grouped into two types, for which the results are in agreement with that of the spectroscopic experiments obtained. Based on them, the chiralities shown in CD spectra of nine different bile salt-bilirubin-Ca~(2+) complexes were explained.

Key words: Ternary complex, Optimum conformation, Chirality