^(99m)TcN-氨荒酸盐脑放射性药物的构效关系研究

QSAR STUDY ON ^(99m)TcN-DITHIOCARBAMATE BRAIN IMAGING AGENTS

对 16个99mTcN核类氨荒酸盐配合物进行结构优化 ,采用Hansch方法 ,应用多元回归分析对该类配合物的构效关系进行了探索研究 ,得到了较为理想的QSAR方程 ,为该类脑灌注显像药物的设计提供了一定的理论指导依据 .结果表明 :在设计新的99mTcN核氨荒酸盐类配合物时 ,应重点考虑对配体取代基的结构修饰 。

The relationship among the brain uptake, brain/blood ratio and structural parameters of sixteen 99mTcN(R(R′)NCS) 2 complexes is studied by using G98W program package at STO-3G * level, the multiple regression analysis and Hansch method. The relevant QSAR equations are found, and the results may afford some theoretical information to the design of new brain imaging agents. The results suggest that the structure modification of the ligand is possibly the most important consideration when designing novel 99mTcN(R(R′)NCS) 2 complexes as brain imaging agents.