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钾离子通道开放剂的药效团模型分析 被引量:3

The Studies on Pharmacophore Model of K^+ Channel Opener
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摘要 In this paper, a set of ATP sensitive K+ channel openers (KCO), whose structure are different, were investigated with the aim to develope our previously defined KCO’s pharmacophore model.To validate the effectiveness of the pharmacophore model, A comparative molecule field analysis (CoMFA) was proceeded, aligning the molecules according to the requirernent of the model, and good results were obtained. This pharmacophore model may be a start point to design new KCO compounds. In this paper, a set of ATP sensitive K+ channel openers (KCO), whose structure are different, were investigated with the aim to develope our previously defined KCO's pharmacophore model.To validate the effectiveness of the pharmacophore model, A comparative molecule field analysis (CoMFA) was proceeded, aligning the molecules according to the requirernent of the model, and good results were obtained. This pharmacophore model may be a start point to design new KCO compounds.
出处 《物理化学学报》 SCIE CAS CSCD 北大核心 1997年第2期101-105,共5页 Acta Physico-Chimica Sinica
基金 国家自然科学基金
关键词 QSAR 药效团模型 平滑肌松驰型 KCO分子 K^+ channel opener, CoMFA, Pharmacophore model, QSAR
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参考文献2

  • 1陈红明,计算机与应用化学
  • 2庞素华,中国药物化学杂志

同被引文献9

  • 1陈红明,庞素华,周家驹,许志宏,李仁利.钾离子通道开放剂的构象分析[J].计算机与应用化学,1997,14(1):31-33. 被引量:2
  • 2陈红明,计算机与应用化学,1997年,14卷,31页
  • 3刘勇,非数值并行算法.2,1995年
  • 4Hansch C,Classical and three dimensional QSA Rinagrochemistry,1995年,7页
  • 5杜明慧,药学学报,1988年,23卷,9期,703页
  • 6丁新腾(译),有机化合物系统鉴定法,1987年,117页
  • 7李述文,实用有机化学手册,1981年,502页
  • 8Connor D T,J Hetrocycl Chem,1977年,14卷,1期,139页
  • 9雷小平,栾燕,凌仰之,李仁利,裴印权.5-取代苯基,1-氢及1-正丙基吡唑烷酮-3化合物抗惊作用QASR的研究[J].药学学报,1990,25(9):684-688. 被引量:3

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