物理化学学报 >> 2000, Vol. 16 >> Issue (10): 926-931.doi: 10.3866/PKU.WHXB20001011

研究论文 上一篇    下一篇

DISCO法构建ALS抑制剂与受体作用的药效团模型

缪方明, 苏华庆, 王瑾玲, 李爱秀   

  1. 天津师范大学晶体化学研究所 天津 300074 |中国人民解放军武警部队医学院 天津 300162
  • 收稿日期:2000-02-08 修回日期:2000-06-06 发布日期:2000-10-15
  • 通讯作者: 王瑾玲 E-mail:wangjl43@tjmail.com

Pharmacophore Model of ALS Inhibitors by DISCO Method

Miao Fang-Ming, Su Hua-Qing, Wang Jin-Ling, Li Ai-Xiu   

  1. Institute of Crystallography of Tianjin Normal University,Tianjin 300074|Medical Collage of Chinese People's Armed Police,Tianjin 300162
  • Received:2000-02-08 Revised:2000-06-06 Published:2000-10-15
  • Contact: Wang Jin-Ling E-mail:wangjl43@tjmail.com

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摘要：

在受体 ALS三维结构未知的情况下，利用距离比较法 (DISCO)对四个结构特征差别较大的 ALS抑制型除草剂进行了研究，构建了该类除草剂与受体作用的可能的药效团模型，为进一步设计开发新型的 ALS抑制剂及模拟靶蛋白的活性空腔提供有意义的参考 .

关键词: ALS抑制剂, 距离比较法(DISCO), 除草剂, 药效团模型

Abstract:

In this paper Pharmacophore Models of the interaction of four varieties of ALS inhibitors by distance comparison (DISCO) method with unknown three-dimensional structure of the receptor are reported. The Model not only conforms to our research requirement, but also helps to find a lot of unexpected biological information, which provides a theoretical guidance for the further design of new and more active ALS inhibitory herbicides and the active cavity simulation of its receptors.

Key words: ALS inhibitors, DISCO, Herbicide, Pharmacophore Model