物理化学学报 >> 2000, Vol. 16 >> Issue (05): 476-480.doi: 10.3866/PKU.WHXB20000521

研究简报 上一篇    

苯酰胺类D2受体显像剂的共平面效应

贾红梅, 孟昭兴, 刘伯里, 王炜   

  1. 北京师范大学化学系，北京 100875|北京医科大学药学院，北京 100083
  • 收稿日期:1999-08-03 修回日期:1999-11-16 发布日期:2000-05-15
  • 通讯作者:

Coplanar Effect Studies on the Benzamides of Dopamine D2 Receptor Imaging Agents

Jia Hong-Mei, Meng Zhao-Xing, Liu Bo-Li, Wang Wei   

  1. Department of Chemistry,Beijing Normal University,Beijing 100875|School of Pharmaceutical Sciences,Beijing Medical University,Beijing 100083
  • Received:1999-08-03 Revised:1999-11-16 Published:2000-05-15
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关键词: 苯酰胺类, D2受体显像剂, 共平面效应

Abstract:

The structure-affinity correlations of a series of benzamides for dopamine D 2 receptor imaging agents have been studied with SYBYL 6.4 software on SGI O 2 workstation. The results of conformational analysis and PM3 calculation have demonstrated that the coplanar effect of benzamides is one of the most important requirements for activity in vitro. The aromatic substituent in the 2 position is the main factor which influences the coplanar arrangement of pseudring (B) involving the amide moiety and the methoxy group relative to the aromatic ring, while the influences of other factors on this side such as the aromatic substituents in the 3 and 5 positions and the conformation of side chain may be neglected. The conclusion may be useful in understanding the interaction of D 2 receptor-ligand and designing new D2 receptor ligands.

Key words: Benzamides, Dopamine D2 receptor imaging agents, Coplanar effect