基于系统药理学菊花清热解毒功效的分子机制研究

Study on mechanism of heat-clearing and detoxifying efficacy of Flos chrysanthemi based on systems pharmacology

基于系统药理学方法探索菊花(Flos chrysanthemi)清热解毒功效的分子机制,利用TCMSP、Drugbank、STRING、DAVID、BIOGPS等在线数据库,进行化合物筛选、网络构建、核心靶点筛选、信号通路富集与归经分析。结果表明,菊花主要通过槲皮素、山奈酚、木犀草素、柚皮素等21种化合物,作用于255个靶点发挥药效作用。JUN、TP53、AKT1、MAPK3、MAPK1、RELA、TNF等为菊花的核心靶点,通过GO功能富集分析得到146个GO条目,应用KEGG通路注释分析,菊花靶点主要作用在炎症和免疫相关信号通路。通过靶点归经分析,菊花核心靶点主要分布在肺脏、平滑肌与肝脏。菊花可能是通过槲皮素、山奈酚、木犀草素等核心化合物作用在肺脏、肝脏等器官发挥清热解毒作用,其机制与调控炎症相关信号通路通过AKT1、TNF等靶点发挥抗炎作用有关。

Based on the method of systems pharmacology,the mechanism of heat-clearing and detoxifying efficacy of Flos chrysanthe⁃mi was explored.The TCMSP,Drugbank,STRING,DAVID,BIOGPS and others online databases were used for selecting the core compounds,building network,selecting the core targets,analyzing the signal pathway and meridian channel tropism.The heat-clear⁃ing and detoxifying efficacy of Flos chrysanthemi mainly through 21 compounds,including quercetin,kaempferol,luteolin and Narin⁃genin,acting on 255 targets.The core targets of Flos chrysanthemi involved JUN,TP53,AKT1,MAPK3,MAPK1,RELA and TNF.GO function enrichment analysis yielded 146 GO entries.KEGG enrichment analysis showed that targets of Flos chrysanthemi mainly act on inflammatory and immune related signaling pathways.Through the analysis of meridian channel tropism of targets,the core tar⁃gets of Flos chrysanthemi was mainly located in the lung,smooth muscle and liver.The Flos chrysanthemi may play the role of heatclearing and detoxifying efficacy through the pharmacological function of quercetin,kaempferol,luteolin and other core compounds in lung,liver and other organs,and its mechanism was related to the regulation of inflammation related signal pathway through AKT1,TNF and other targets to play an anti-inflammatory role.