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烷氨基1,2-二苯乙烯类钙调素拮抗剂定量构效关系的研究

雷小平*, 李重华, 钟海振, G.Mrugacz, A.Sobieszek, R.E.Reid   

  1. 1. 北京医科大学药化教研室, 北京 100083;
    2. 奥地利科学院分子生物所, Salzburg, Austria;
    3. 加拿大大不列颠 哥伦比亚大学药学院 温哥华 V6T 1Z3
  • 收稿日期:1996-05-07 修回日期:1996-09-11 出版日期:1996-12-15 发布日期:1996-12-15
  • 通讯作者: 雷小平*

Quantitative Stucture-Activity Relationship Studies on Calmodulin Antagonists of Alkylamino 1,2-Diphenylethvl-ene Compounds

Xiao-Ping Lei*, Chong-Hua Li, Hai-Zhen Zhong, G.Mrugacz, A.Sobieszek, R.E.Reid   

  1. 1. School of Pharmaceutical Sciences,Beijing Medical university, Beijing 100083;
    2. Institute of Molecular Biology Austrian Academy of Sciences, Salzburg, Austria;
    3. Faculry of Pharmaceutical Sciences, University of British Columbia, Vancouver, B.CCanadaV6T 1Z3
  • Received:1996-05-07 Revised:1996-09-11 Online:1996-12-15 Published:1996-12-15
  • Contact: Xiao-Ping Lei*

摘要: 从新的先导化合物6-氨基1,2-二苯乙烯-1出发, 研究了15个烷氨基1,2-二苯乙烯类钙调素拮抗剂的结构与活性之间的关系。发现: 顺式构型的活性一般比反式构型强, 而双键还原的化合物活性更低。从芳香亲脂中心到碱性中心之间的烷基链长度增加时, 拮抗活性随之增强。QSAR分析显示: 苯环上具较大脂水分配系数及给电子的取代基时拮抗活性可提高。

关键词: 钙调素拮抗剂, QSAR, Hansch, 分析

Abstract: 6-Amino-1.2-diphenylhex-1-ene is considered to be a new type of lead com-pound and structure-activity relationships for 15 calmodulin antagonists of alkylamino1.2-diphen-ylethylene compounds have been reported It has been found that the cis isomers generally show greate ractivity than the transisomers,and the reduced compound is the least active Inhibitory activity increases with the length of the alkyl chain separating the aromatic hydrophobic center from the basic center It is suggested from QSAR analysis that compounds Which have high hydrophobic parameter and with electron-donating substituents on the benzene ring may exhibit more potent in-hibitory activity.

Key words: Calmodulin antagonists, QSAR, Hansch analysis

Supporting: The project supported by National Natural Science Foundation of China.