中枢神经系统受体显像剂研究Ⅰ.苯酰胺类D_2受体显像剂结构效应的研究

STUDY OF CNS RECEPTOR IMAGING AGENT I. Study of Structure affinity Relationship for Benzamides D 2 Receptor Imaging Agent

采用自行移植改编的ＣＮＤＯ／２程序，计算了苯酰胺类Ｄ２受体显像剂各环的电荷分配值，发现该类显像剂的亲和力随着芳基电荷分配值减少而增加，这与Ｋｄ（受体与配体结合时的解离常数）值有对应关系，证实了芳基平面总电荷和Ａ、Ｂ环总电荷均明显地影响这种亲和力。计算结果对该类Ｄ２受体显像剂的药物设计和制备新的配体是有益的。

The charge distribution of various ring of benzamides D 2 receptor imaging agent using improved CNDO/2 program are calculated. The D 2 receptor imaging agent binding affinity is increased with the decreasing of total electric charge of benzen ring including substituted groups. It is quantitatively related to its K d values. It is demonstrated that the binding affinity is apparently effected by the electric charge of area of plane of benzen ring and A,B ring. This calculated results may be useful in disigning and preparing new benzamides D 2 receptor ligand.