Acta Phys. -Chim. Sin. ›› 1992, Vol. 8 ›› Issue (03): 389-393.doi: 10.3866/PKU.WHXB19920319

• ARTICLE • Previous Articles     Next Articles

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

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