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

J L Mokrosz, B Duszyńska, A Bojarski
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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.

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中枢神经系统药物构效关系研究。第三部分。1-芳基哌嗪在5-HT1A受体上的生物活性构象。
对两个系列1-芳基哌嗪的5-HT1和5-HT1A亲和数据进行定量构效关系(QSAR)分析。用CNDO/2方法对所研究的衍生物进行了构象分析。结果表明,一些1-芳基哌嗪具有生物活性构象,而其他的1-(2-烷基苯基)哌嗪则在受体位点以扭曲构象存在。
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