Study on Three Dimensional Quantitative Structure Activity Relationship of Benzodiazepines
华军 何 · Hans Journal of Medicinal Chemistry · 2016
本文采用CoMFA和CoMSIA法，对苯二氮䓬类催眠药物进行了三维定量构效关系研究，阐明了苯二氮䓬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.