Aβ显像剂2-苯基苯并噻唑衍生物的定量构效关系  

QSAR of 2-Arylbenzothiazole Derivatives for β-Amyloid Imaging

作　　者：王武尚[1] 高敏[2] 刘伯里[3] 

机构地区：[1]西北核技术研究所,陕西西安710024 [2]西安交通大学理学院应用化学系,陕西西安710049 [3]北京师范大学化学学院,北京100875

出　　处：《核化学与放射化学》2010年第4期231-235,共5页Journal of Nuclear and Radiochemistry

基　　金：国家自然科学基金资助项目(No.30640042)

摘　　要：11C或123I标记的含有给电子基团的2-苯基苯并噻唑衍生物一般具有较高的Aβ斑块亲和性,是一类潜在的Aβ显像剂。本工作以Aβ亲和性参数lgKi为因变量,一些通过G98W结构优化得到的分子结构参数为自变量,对28个2-苯基苯并噻唑衍生物进行了定量构效关系研究,结果表明,Aβ亲和性与化合物的lgP、Vm、lgVm、He和EHOMO呈线性相关,其中脂溶性参数lgP是影响Aβ亲和性的主要因素。2-arylbenzothiazole derivatives containing electron-donating group labeled with 11C or 123I generally displayed high binding affinity for β-amyloid（Aβ） plaques,and were potential Aβimaging agents.In the article,Aβ binding affinity parameter,lg Kiwas used as dependent variable.Some molecule structure parameters obtained by structure optimization performed by Gaussian 98 for windows software were used as independent variable.The quantitative structure-activity relationship for twenty-eight 2-arylbenzothiazole derivatives as Aβimaging agents was studied.The results indicate that lg Kiis correlated linearly with lg P,Vm,lg Vm,Heand EHOMO.Among them,the lipophilicity parameter（lg P） is a main factor of affecting Aβ binding affinity.

关 键 词：阿尔茨海默病 Aβ斑块 显像剂 定量构效关系 

分 类 号：R817.4[医药卫生—影像医学与核医学]