基于矢量药理网络的中药寒热属性分类模型构建及药性混淆品种寒热属性厘清

项目名称： 基于矢量药理网络的中药寒热属性分类模型构建及药性混淆品种寒热属性厘清

项目编号： No.81473367

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 医药、卫生

项目作者： 姜淼

作者单位： 中国中医科学院中医临床基础医学研究所

项目金额： 68万元

中文摘要： 建立科学可靠的药物寒热属性分类方法是药性理论发展的需求，更可为厘清药性混淆品种的寒热属性提供有效方法。项目组前期自然基金项目(30902003)建立了依据药物化学结构谱的中药寒热属性分类模型，并分析了其他药性判别模型，发现从生物效应角度是有效区分中药寒/热属性的最重要方向。本研究拟应用典型寒/热中药干预大鼠前后的代谢组和蛋白质组学实证数据，应用生物信息技术构建含有效应方向与强度信息的中药寒/热性药物的矢量药理网络，利用生物网络分析技术分析网络拓扑结构，识别关键节点、提取中心亚网络信息，对比提取寒、热性药物的药理网络特征；应用模式识别技术，采用模板匹配与K紧邻算法和随机子空间优选策略，构建基于药理网络的中药寒热属性分类模型；选择寒热属性混淆的中药，同样利用干预前后组学数据，构建其矢量药理网络，利用构建的模型厘清其寒热属性，为判定中药寒热属性提供科学方法，也为拓展中药新资源提供策略。

中文关键词： 中药药性；寒热药性；生物效应；药理网络；模式识别

英文摘要： There is an urgent demand to build a cold/heat property classification model to facilitate the property theory of Chinese herbal medicine, as well as to clarify the controversial properties of some herbs. Based on the previous NSFC project (No. 30902003), we have established a cold/heat property classification model based on chemical structure profile, besides reviewing other previous studies worldwide. It was concluded that bio-effect should be the key approach to classify the cold and heat properties of herbal medicines. In this study, metabonomics and proteomics techniques will be used to test the serum of SD rats before and after treatment with 5 herbs with typical cold property and another 5 herbs with typical heat property. The omics data will then be collected and analyzed with bioinfomatics approach. Vectorial pharmacological networks of both cold and heat herbs will be built up based on these data, which will contain qualitative and quantitative information of the herbal bio-effect. The vectorial networks will be analyzed using topological structure, key nodes identification, and central subnetwork extraction. Characteristics of pharmacological networks of cold and heat herbs will be identified. Then pattern recognition approaches will be adopted, including template matching algorithm, K near algorithms, and stochastic subspace preferred strategy, to build the cold/heat property classification model based on the bio-effect parameters extracted from network analysis. Four herbs of controversial properties will be selected as target herbs to treat SD rats with the same methods mentioned above. The vectorial pharmacological networks of these herbs will be built up and analyzed. The cold/heat property of these target herbs will be determined with this classification model. This study will provide a scientific model for determination the cold/heat property of herbal medicines, and a new strategy for expanding the Chinese herbal medicine resources as well.

英文关键词： property of Chinese herbal medicine;cold/heat property;bio-effect;pharmacological network;pattern recognition