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化学学报
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化学学报 ›› 2002, Vol. 60 ›› Issue (3): 518-523. 上一篇    下一篇

研究论文

距离比较法(DISCO)构建ALS抑制剂药效团模型

陈凯;程永浩;杨华铮   

  1. 南开大学元素有机化学研究所.天津(300071)
  • 发布日期:2002-03-15

Using DISCO Method to Build Pharmacophore Model of ALS Inhibitors

Chen Kai;Cheng Yonghao;Yang Huazheng   

  1. Institute of Elemento-Organic Chemistry, State Key Laboratory of Elemento-Organic Chemistry, Nankai University.Tianjin(300071)
  • Published:2002-03-15

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被引次数

29 | 1

在乙酰乳酸合成酶（ALS）三维结构未知的情况下，利用距离比较法（DISCO） ，将10 个结构特征具有代表性的ALS抑制剂的分子构象进行叠合，建立了可能的 药效团模型，并初步验证了模型的可靠性。

关键词: 乙酰乳酸合成酶, 三维结构, 抑制剂, 药效, 构象

In this paper, ten typical acetolactate synthase (ALS) inhibitors were superimposed to fit with their most favorite conformation to build ALS Inhibitors' 3D-pharmacophore model by using distance- comparisons (DISCO) method without the previous knowledge of the three- dimensional structures of ALS.

Key words: acetolacta synthase, THREE DIMENSIONAL STRUCTURE, INHIBITOR, PESTICIDE EFFECT, CONFORMATION

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