A series of 18 new 5-[3-(4-aryl-1-piperazinyl)propoxy]coumarin derivatives from the corresponding bromoalkyl derivatives have been designed and synthesized by us using a microwave-assisted protocol. Radioligand binding assays of this series of compounds as well as a previously synthesized series of 17 structurally-similar compounds showed that six systems have very high affinities to the 5-HT_1A receptor (0.3–1.0 nM) and good selectivity against the 5-HT_2A receptor. Molecular docking, structural studies and structure–activity relationship studies were used to gain more insight into the atomistic details of ligand binding and rationalize the obtained results.

中文翻译：

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基于香豆素核心的具有亚纳摩尔活性的针对5-羟色胺5HT _1A受体的选择性药物的开发

由我们使用微波辅助方案设计和合成了一系列18种新的相应的溴烷基衍生物的5- [3-（4-（芳基-1-哌嗪基）丙氧基]香豆素]香豆素衍生物。该系列化合物以及先前合成的17种结构相似的化合物的放射性配体结合分析表明，六个系统对5-HT _1A受体的亲和力非常高（0.3-1.0 nM），并且对5-HT的选择性很好_2A受体。使用分子对接，结构研究和结构-活性关系研究来获得对配体结合原子细节的更多了解，并使获得的结果合理化。