分子模拟计算研究辅酶B_(12)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\= CYCLODEXTRIN AND EXTERNAL ORGANIC\= RADICALS PRODUCED IN PHOTOLYSIS OFCOENZYME B12 AND ITS ANALOGUES

辅酶Ｂ１２，即５′－脱氧腺苷钴铵素（ＡｄｏＢ１２），作为辅因子参加生物体内多种酶反应的关键步骤是在酶诱导下ＡｄｏＢ１２的Ｃｏ－Ｃ键断裂产生５′－脱氧腺苷自由基ＡｄｏＣＨ２·。与许多Ｂ１２有关的酶反应相似，辅酶Ｂ１２及其类似物的光解反应也产生Ｂ１２ｒ和...

\; By using Molecular Modeling program (MSI Cerius\+2 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 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 B12dependent enzymatic reactions.\=\;