Aβ显像剂2-苯基苯并噻唑衍生物的定量构效关系

王武尚; 高敏; 刘伯里

Aβ显像剂2-苯基苯并噻唑衍生物的定量构效关系

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

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出版历程
- 收稿日期: 1899-12-31
- 修回日期: 1899-12-31
- 刊出日期: 2010-08-19

QSAR of 2-Arylbenzothiazole Derivatives for β-Amyloid Imaging

1.
Northwest Institute of Nuclear Technology, Xi’an 710024, China
2.
Department of Applied Chemistry, Faculty of Science, Xi’an Jiaotong University, Xi’an 710049, China
3.
College of Chemistry, Beijing Normal University, Beijing 100875, China

摘要

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lgK_i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lg P、V_m、lg V_m、H_e和E_HOMO呈线性相关，其中脂溶性参数lg P是影响Aβ亲和性的主要因素。
- 阿尔茨海默病 /
- Aβ斑块 /
- 显像剂 /
- 定量构效关系
Abstract: 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 Aβ imaging agents. In the article, Aβ binding affinity parameter, lg K_i was 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 Aβ imaging agents was studied. The results indicate that lg K_i is correlated linearly with lg P, V_m, lg V_m, H_e and E_HOMO. Among them, the lipophilicity parameter (lg P) is a main factor of affecting Aβ binding affinity.
- Alzheimer’s disease /
- β-amyloid plaques /
- imaging agent /
- quantitative structure-activity relationship（QSAR）

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参考文献(17)

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Aβ显像剂2-苯基苯并噻唑衍生物的定量构效关系

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出版历程

QSAR of 2-Arylbenzothiazole Derivatives for β-Amyloid Imaging

计量

出版历程

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