物理化学学报 >> 1995, Vol. 11 >> Issue (11): 1044-1047.doi: 10.3866/PKU.WHXB19951117

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生物金属与胆固醇相互作用的经验势函数计算

曹槐,谢小光   

  1. 云南大学化学系，现代生物学中心，昆明 650091
  • 收稿日期:1995-01-23 修回日期:1995-04-08 发布日期:1995-11-15
  • 通讯作者:

Calculation of the Potential Function of the Interaction between Biometals and Cholesterol

Cao Huai,Xie Xiao-Guang   

  1. Department of Chemsitry,Zhongshan University,Guangzhou 510275
  • Received:1995-01-23 Revised:1995-04-08 Published:1995-11-15
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关键词: 吩噻嗪, 2, 3-二氯-5, 6-二氰基苯醌(DDQ), 电荷转移络合物, 电离势

Abstract:

The electron information of the molecules, cholesterol, chromium-and cuppercholesterol complexes, was calculated by CNDO/M. And, using the interaction potential function method, the intermolecular interaction energies between cholesterols, the complexes, and Cu2+ , Zn2+, Cd2+, Cr3+-cholesterol complexes were obtained. Based on the interaction energy, the medical role of biometals in hypercholesterolemia concerned with arteriosclerosis were explained successfully.

Key words: Biometals, Cholesterol, Interaction, Arteriosclerosis