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家蝇GABAA受体萜类抑制剂先导化合物的筛选
Authors
乔桂兰
任天瑞
孙月萍
赵保峰
Publication date
1 January 2008
Publisher
Abstract
用距离比较法(DISCOtech)构建的家蝇GABAA受体萜类抑制剂药效团模型为基础建立了提问结构,以三维数据库搜索软件3DFS为工具,在三维结构中草药数据库(TCMD)中进行了搜索。对搜索结果使用改进的Linpinsky五原则进行筛选,挑选21个化合物进行CoMFA活性预测,活性预测值较高。结果分析表明,3DFS-类杀虫剂筛选-CoMFA活性预测生物活性方法是一种有效的筛选先导化合物的方法
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Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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Last time updated on 11/04/2021