基于网络药理学与数据挖掘探讨中药调节自噬物质基础及用药规律

Study on Medication Rules of Herbs in the Regulation of Autophagy Based on Network Pharmacology and Data Mining

目的探讨中医药调节自噬的小分子物质基础及用药规律。方法通过KEGG数据库和Genecards数据库获取自噬相关基因靶点,采用Metascape平台分析潜在靶点参与的生物过程及通路。以类药性≥0.18为筛选条件,在TCMSP数据库获得靶点相关的小分子化合物及中药,构建靶点-化合物-中药三者网络。同时收集中药性、味、归经信息,分析调节自噬的中药用药规律。结果获得自噬相关潜在靶点17个,以此匹配小分子化合物448个,中药357味。其中槲皮素、表没食子儿茶素没食子酸酯、染料木黄酮、木犀草素、汉黄芩素、熊果酸等可能是干预自噬的主要小分子物质基础。中药信息分析结果显示,干预自噬的中药以性寒、味苦,归肺肝二经多见,功效以清热、补益为主。结论文章较为系统地探讨了调节自噬的小分子物质基础,归纳了干预自噬中药的一般规律,为治疗自噬相关疾病的新药研发及中医干预自噬机制的理论基础确立提供了思路。

Objective To explore the substance basis of small molecules of Chinese medicine regulating autophagy and the rule of drug use. Methods Autophagy related gene targets were obtained from KEGG database and Genecards database,and the biological processes and pathways involved in potential targets were analyzed by Metascape platform. The target-related small molecule compounds and traditional Chinese medicine were obtained from the TCMSP database under the screening condition of ≥ 0.18 druglikeness,and the target-compound-traditional Chinese medicine network was constructed. At the same time,the information of medicinal property,taste and menstruation was collected to analyze the regulation of Chinese medicine for autophagy. Results 17 potential targets related to autophagy were obtained to match 448 small molecule compounds and 357 traditional Chinese medicines. Quercetin,epigallocatechin gallate,ginkgo flavone,luteolin,baicalein and ursolic acid may be the main small molecular basis for the intervention of autophagy. The results of information analysis of traditional Chinese medicine showed that the traditional Chinese medicine that interfered with autophagy was mainly cold and bitter,and it was more common to return to the lung and liver,and its efficacy was mainly to clear heat and supplement benefits. Conclusion The small molecule material basis of regulating autophagy was systematically discussed,and the general rules of interfering autophagy in traditional Chinese medicine were summarized,which provided ideas for the research and development of new drugs for treating autophagy related diseases and the establishment of the theoretical basis of TCM interfering autophagy.