生物金属与胆固醇相互作用的经验势函数计算

doi:10.3866/PKU.WHXB19951117

Acta Phys. -Chim. Sin. ›› 1995, Vol. 11 ›› Issue (11): 1044-1047.doi: 10.3866/PKU.WHXB19951117

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

Cao Huai,Xie Xiao-Guang

Department of Chemsitry,Zhongshan University,Guangzhou 510275

Received:1995-01-23 Revised:1995-04-08 Published:1995-11-15
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Abstract

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

Cao Huai,Xie Xiao-Guang. Calculation of the Potential Function of the Interaction between Biometals and Cholesterol[J]. Acta Phys. -Chim. Sin. 1995, 11(11), 1044-1047. doi: 10.3866/PKU.WHXB19951117

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

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