无机化学学报

分子模拟计算研究辅酶B₁₂及其类似物光解产生的自由基加合物与β-环糊精的作用

MOLECULAR MODELING STUDY OF INTERACTION BETWEEN β-CYCLODEXTRIN AND EXTERNAL ORGANIC RADICALS PRODUCED IN PHOTOLYSIS OF COENZYME B₁₂ AND ITS ANALOGUES

作者	单位
韩德艳	南京大学化学化工学院，配位化学国家重点实验室，配位化学研究所，南京 210093
白志平	南京大学化学化工学院，配位化学国家重点实验室，配位化学研究所，南京 210093
陈慧兰	南京大学化学化工学院，配位化学国家重点实验室，配位化学研究所，南京 210093

摘要:

关键词: 辅酶B₁₂类似物分子模拟

基金项目:

Abstract: By using Molecular Modeling program (MSI Cerius² Program, DREIDING force field), the orientation and structure of radical adducts produced by photolysis of coenzyme B₁₂ and its analogues in the presence of nitrosopropane spin trap in the β-Cd hydrophobic cavity are investigated. The MM calculation results indicate that the cyclodextrin would be taken as a model to study the mechanisms for coenzyme B₁₂-dependent enzymatic reactions.

Keywords: coenzyme B₁₂ analogues molecular modeling

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韩德艳,白志平,陈慧兰.分子模拟计算研究辅酶B₁₂及其类似物光解产生的自由基加合物与β-环糊精的作用[J].无机化学学报,1999,15(4):507-508.

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