苯二氮卓艹类催眠药物三维定量构效关系研究
Study on Three Dimensional Quantitative Structure Activity Relationship of Benzodiazepines

DOI: 10.12677/HJMCe.2016.44004, PP. 25-37

Keywords: 苯二氮卓 margin-left:-14px,艹类化合物，比较分子场分析，比较分子相似性指数分析法，三维定量构效关系
Benzodiazepines&searchField=keyword">">艹类化合物，比较分子场分析，比较分子相似性指数分析法，三维定量构效关系
Benzodiazepines, Comparative Molecular Field Analysis, Comparative Similarity Indices Analysis, Three Dimensional Quantitative Structure Activity Relationship

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Abstract:

本文采用CoMFA和CoMSIA法，对苯二氮？类催眠药物进行了三维定量构效关系研究，阐明了苯二氮？类化合物空间结构上的基团大小、疏水性、静电性、氢键等对活性的影响，以便根据这些性质设计新的先导化合物。
The 3D quantitative structure-activity relationship of benzodiazepines hypnotic drugs is discussed by CoMFA and CoMSIA method in this article which shows the impact on the activity of benzodiazepine compounds, including the size of the spatial structure, the hydrophobic properties, the electrostatic properties and the hydrogen bond. These natures can be used to design new lead compounds.

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