摘要
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.
出处
《同位素》
CAS
1997年第2期71-77,共7页
Journal of Isotopes
基金
国家自然科学基金
国家教委博士点基金
关键词
中枢神经系统
苯酰胺类
受体
显像剂
精神分裂
CNS benzamides D 2 receptor imaging agent structure affinity relationship net charge