基于网络药理学预测大黄芩鱼散清热解毒药效物质基础及作用分析

Predicting pharmacodynamic material basis and action of Dahuang Qinyu San for the treatment of heat-clearing and detoxification based on network pharmacology

为探索大黄芩鱼散清热解毒功效的药效物质基础及网络调控机制,首先利用网络药理学的方法,选取大黄芩鱼散中34个化合物为研究对象,依据TCMSP、Uniprot等数据库预测化合物作用靶点,利用Cytoscape软件构建“化合物-靶点”网络药理图。网络药理预测发现,34个化合物可通过80个靶点发挥作用,其中前列腺素G/H合酶2(PS2)、二肽基肽酶4(DP4)、雄激素受体(ANDR)、热休克蛋白90(HSP90)、前列腺素G/H合酶1(PS1)等8个核心靶点与抗炎、解热、免疫调节、镇痛等过程相关,推测大黄芩鱼散通过干预以上过程发挥清热解毒功效。其中主要发挥作用的单体成分有β-谷甾醇、山奈酚、汉黄芩素、芦荟大黄素、芦丁、黄芩苷、大黄酸7个,其可能为大黄芩鱼散的关键药效物质基础。

We explored the pharmacodynamic material basis and network regulatory mechanism of Dahuang Qinyu San(DQS)for the treatment of fever and inflammation.Targets of the 34 compounds in DQS were predicted according to TCMSP,Uniprot database.A“compound-target”network was established with Cytoscape 3.2.1 software.The network pharmacology experiment showed that 34 compounds affected 80targets,of which 8 key targets including prostaglandin G/H synthase 2(PS2),dipeptidyl peptidase IV(DP4),androgen receptor(ANDR),heat shock protein HSP 90(HSP90),prostaglandin G/H synthase 1(PS1)etc.were related to anti-inflammatory,antipyretic,immune regulation and analgesia.The“compound-target”network indicating that beta-sitosterol,kaempferol,wogonin aloe-emodin,rutin,baicalin and rhein 7components may be the key pharmacodynamic material basis of DQS.