应用^1HNMR弛豫观察石杉碱戊与乙酰胆碱酯酶的结合  

^1H NMR Relaxation Investigation of Huperzine E Binding to Acetylch oli neste rase

作　　者：杜为红[1] 李医明[2] 甘秋玲[3] 蒋山好[2] 谭昌恒[2] 朱大元[2] 

机构地区：[1]中国人民大学化学系,北京100872 [2]中国科学院上海药物研究所,上海201203 [3]北京师范大学化学系,北京100875

出　　处：《化学学报》2007年第5期415-420,共6页Acta Chimica Sinica

基　　金：国家自然科学基金(Nos.90409015;20473013)资助项目.

摘　　要：为筛选更好的乙酰胆碱酯酶抑制剂,应用1H NMR的方法研究了石杉碱甲的一个类似物——石杉碱戊与乙酰胆碱酯酶的结合性质,获得了加乙酰胆碱酯酶([配体]∶[蛋白]=1∶0.005)和不加酶时石杉碱戊部分质子的非选择性、单选择性和双选择性的自旋晶格弛豫速率.加酶后质子的选择性弛豫速率变化较大,在T=298K时石杉碱戊的H-1a/H-1b质子对的分子运动相关时间τ1a,1b由不加酶时的27.7ps变化到结合酶后的11.7ns,H-2/H-3质子对的分子运动相关时间τ2,3由35.2ps变化到9.46ns,由此得出石杉碱戊与乙酰胆碱酯酶有较强的结合作用.In order to search for better acetylcholinesterase （AchE） inhibitors, the binding properties of AchE with huperizine E, which is a derivative of huperzine A, were investigated by IH NMR methods. The nonselective, selective and double-selective spin-lattice relaxation rates of some protons in huperzine E were acquired in the absence and presence of AchE at a concentration ratio of [ligand] ： [protein] = 1 ： 0.005. The enhancements of selective relaxation rates of these protons were obvious after adding AchE. The molecular motional correlation times of two pairs of protons, H-1a/H-1b and H-2/H-3, in the bound state at T=298 K were 11.7 and 9.46 ns respectively, while they were 27.7 and 35.2 ps in the free state. All of these show that Huperzine E has high binding affinity with AchE.

关 键 词：石杉碱戊 乙酰胆碱酯酶 质子自旋-晶格弛豫速率 分子运动相关时间 核磁共振 

分 类 号：TQ464.8[化学工程—制药化工]