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家蝇GABA受体抑制剂的比较分子相似性指数分析模型研究
Authors
任天瑞
巨修练
+3 more
张晔
沈斌
裴剑锋
Publication date
1 January 2004
Publisher
Abstract
目的:寻找家蝇GABA受体抑制剂的化学结构与生物活性之间的关系,为设计合成新的更高活性的家蝇GA—BA受体抑制剂提供理论依据,从而为新农药的创制提供线索。方法:选择三类29个家蝇GABA受体抑制剂,在SGI工作站上,用SYBYM.9软件,进行比较分析相似性指数分析。结果:模型的传统相关系数r^2=0.929,交叉验证系数q^2=0.713,F(4,24)=78.392,标准偏差S=0.273。结论:在CoMSIA模型中,影响抑制剂活性的主要因素包括立体场,静电场和疏水场,对抑制剂的这些属性的合理设计可能增加抑制剂的生物活性
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Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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oai:ir.ipe.ac.cn:122111/5141
Last time updated on 09/11/2016
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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oai:ir.ipe.ac.cn:122111/31802
Last time updated on 05/12/2019
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
See this paper in CORE
Go to the repository landing page
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oai:ir.ipe.ac.cn:122111/46544
Last time updated on 11/04/2021