基于专利网的中药防治糖尿病核心药组挖掘及其分子作用机制研究

Based on patent network to explore the core drug group and the molecular mechanism with traditional Chinese medicine for prevention and treatment of diabetes mellitus

关键词:  糖尿病  配伍规律  作用机制  数据挖掘  网络药理学

Key words:  diabetes mellitus  compatibility law  mechanism of action  data mining  network pharmacology

摘要:

[目的] 分析中药复方治疗糖尿病的用药规律，阐明核心中药防治糖尿病的作用机制。[方法] 采用数据挖掘方法对专利网治疗糖尿病中药处方的使用频次、性味归经、功效分类作统计分析及关联规则分析，利用网络药理学方法筛选核心中药的成分靶点，构建PPI网络、药物-成分-靶点-疾病网络，进行GO功能注释和KEGG功能分析，通过分子对接对药物-靶点作虚拟验证。[结果] 数据挖掘结果显示黄芪、地黄、山药、葛根、麦冬等使用频率较高，平性、寒性药物占比为46.52%，甘味、苦味占比为64.09%，关联规则显示黄芪-地黄，黄芪-山药，黄芪-葛根等置信度较高。新的高频药组为黄芪-葛根-丹参，药物与糖尿病共同靶点为57个，GO功能及KEGG富集通路显示，炎症反应可能发挥重要作用，TNF信号通路等可能为重要通路，分子对接结果显示，AKT1、IL-6、TNF可能为该药组防治糖尿病的关键靶点。[结论] 治疗糖尿病以清热生津，益气养阴功效药物为主，新的药组黄芪-葛根-丹参可能通过AKT1、IL-6、TNF等关键靶点参与TNF信号通路发挥防治糖尿病的作用。

Abstract:

[Objective] The purpose of this study was to analyze the medication rules of traditional Chinese medicine compounds in the treatment of diabetes,and to clarify the mechanism of core traditional Chinese medicines in preventing and treating diabetes mellitus. [Methods] Data mining method was used for statistical analysis on the usage frequency,qi and flavor,meridian,and efficacy classification and correlation rule analysis of Chinese medicine prescriptions for treating diabetes mellitus on the patent network. Network pharmacology was used for the component targets of traditional Chinese medicine,construction of PPI network,drug-component-targeg-disease network,GO function annotation,KEGG function analysis. Molecular docking was used for the virtual verification of the drug and targets. [Results] The data mining results showed that Astragalus,Rehmannia,Dioscoreae Rhizoma,Pueraria lobata,Ophiopogon japonicus were used frequently. The proportion of mil-natured and cold drugs accounted for 46.52%,and the proportion of sweet and bitter flavors accounted for 64.09%. The association rules showed that astragalus-rehmannia glutinosa,astragalus-dioscoreae rhizoma, astragalus-pueraria lobata had higher confidence. The new high-frequency drug group was astragalus-pueraria lobata-ginseng. There were 57 common targets between drugs and diabetes mellitus. The GO function and KEGG enrichment pathway showed that inflammation may play an important role,and TNF signaling pathway may be an important pathway. Molecular docking results showed that AKT1,IL-6,and TNF may be the key targets for the drug group to prevent and treat diabetes mellitus. [Conclusion] The main medicines for the treatment of diabetes were to clear away heat and generate body fluid,and to replenish qi and nourish yin. The new drug group that was astragalus-pueraria lobata-ginseng may be affect the key targets which included AKT1,IL-6,TNF in the TNF signaling pathway to prevent and treat the diabetes mellitus.