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作为5-羟色胺1A受体配体的丁螺环酮类似物。1. 丁螺环酮及其两种类似物的分子结构。

Buspirone analogues as ligands of the 5-HT1A receptor. 1. The molecular structure of buspirone and its two analogues.

作者信息

Chilmonczyk Z, Leś A, Woźniakowska A, Cybulski J, Kozioł A E, Gdaniec M

机构信息

Pharmaceutical Research Institute, Warszawa, Poland.

出版信息

J Med Chem. 1995 May 12;38(10):1701-10. doi: 10.1021/jm00010a015.

DOI:10.1021/jm00010a015
PMID:7752194
Abstract

An interdisciplinary (X-ray, 1H and 13C NMR, IR, and theoretical quantum mechanical) study on the potent 5-HT1A receptor ligand buspirone (1) and its two structural analogues, mesmar (4,4-dimethyl-1-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-2,6- piperidinedione) (2) and kaspar (8-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-8-azaspiro[4.5]decane - 7,9-dione) (3), has been reported. The results have shown that buspirone-like molecules should appear in an extended rod-shape form, possessing several potential interaction sites with the receptor.

摘要

一项关于强效5-羟色胺1A受体配体丁螺环酮（1）及其两种结构类似物，美司麦角（4,4-二甲基-1-[4-[4-(2-喹啉基)-1-哌嗪基]丁基]-2,6-哌啶二酮）（2）和卡斯帕（8-[4-[4-(2-喹啉基)-1-哌嗪基]丁基]-8-氮杂螺[4.5]癸烷-7,9-二酮）（3）的跨学科（X射线、1H和13C核磁共振、红外光谱以及理论量子力学）研究已有报道。结果表明，丁螺环酮样分子应以延伸的棒状形式出现，具有与受体的几个潜在相互作用位点。

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1
Buspirone analogues as ligands of the 5-HT1A receptor. 1. The molecular structure of buspirone and its two analogues.作为5-羟色胺1A受体配体的丁螺环酮类似物。1. 丁螺环酮及其两种类似物的分子结构。
J Med Chem. 1995 May 12;38(10):1701-10. doi: 10.1021/jm00010a015.
2
8-[4-[2-(1,2,3,4-Tetrahydroisoquinolinyl]butyl-8-azaspiro[4.5]decane-7,9-dione: a new 5-HT1A receptor ligand with the same activity profile as buspirone.8-[4-[2-(1,2,3,4-四氢异喹啉基)]丁基]-8-氮杂螺[4.5]癸烷-7,9-二酮：一种与丁螺环酮具有相同活性谱的新型5-HT1A受体配体。
J Med Chem. 1996 Mar 1;39(5):1125-9. doi: 10.1021/jm950662c.
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Molecular dynamics of 5-HT1A and 5-HT2A serotonin receptors with methylated buspirone analogues.5-羟色胺1A和5-羟色胺2A血清素受体与甲基化丁螺环酮类似物的分子动力学
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13C CP (cross-polarization) MAS (magic angle spinning) NMR and GIAO-CHF calculations of buspirone analogues. Part 1. 3a,4,7,7a-Tetrahydro-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl ]-4,7-ethane-1H-isoindole-1,3(2H)-dione hydrochloride and hydrobromide.
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Molecular dynamics of buspirone analogues interacting with the 5-HT1A and 5-HT2A serotonin receptors.丁螺环酮类似物与5-羟色胺1A和5-羟色胺2A血清素受体相互作用的分子动力学
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13C cross-polarization magic angle spinning NMR and gauge-independent atomic orbital, coupled Hartree-Fock calculations of buspirone analogues. Part 2. Hydrochlorides and perchlorates of 1-arylpiperazine-4-alkylimides.
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