Structure-activity relationship studies of CNS agents. Part III. On the bioactive conformations of 1-arylpiperazines at 5-HT1A receptor.

Abstract

Quantitative structure-activity relationships (QSAR) were analyzed for 5-HT1 and 5-HT1A affinity data of two series of 1-arylpiperazines. A conformational analysis of the investigated derivatives was performed using CNDO/2 method. It was shown that some 1-arylpiperazines adopt the bioactive conformations, while the others, like 1-(2-alkylphenyl)-piperazines, should exist in the twisted conformations at the receptor sites.