新疆医科大学学报

目的 基于网络药理学-分子对接探讨清热卡森颗粒防治脂肪肝的作用机制，并对关键靶点进行实验验证。方法 采用中药系统药理学分析平台（TCMSP）收集清热卡森颗粒活性成分，经BATMAN-TCM和SwissTargetPrediction数据库获取活性成分靶点，通过检索Gene Cards和OMIM数据库得到疾病靶点，将活性成分靶点与疾病靶点取交集得到关键靶点。运用R语言进行GO功能和KEGG通路的富集分析。采用AutoDock Vina软件和动物实验对预测结果进行验证。结果 从清热卡森颗粒中筛选出12个活性成分，成分靶点53个，疾病靶点8 449个，关键靶点48个。其防治脂肪肝的作用可能与β-谷甾醇、木犀草素和花青素-3-葡萄糖苷等核心成分有关，推测清热卡森颗粒通过IL-6、EGFR、VEGF、MAPK1和PPARG等核心靶点调节VEGF、MAPK、TNF、RAS、PI3K-Akt、HIF-1、IL-17、JAK-STAT、非酒精性脂肪肝、乙型和丙型肝炎等信号通路来发挥防治脂肪肝的作用。分子对接结果显示，清热卡森颗粒核心成分与核心蛋白靶点结合性能较好，表明其生物活性较好。动物实验验证表明，清热卡森颗粒可下调肝组织IL-6、EGFR、VEGF蛋白表达。结论 网络药理学-分子对接揭示了清热卡森颗粒防治脂肪肝的核心成分、关键靶点及信号通路，为其保肝的应用提供了理论基础。

Objective To investigate the mechanism of Qingre Kasen granules in treatment of fatty liver based on network pharmacology-molecular docking and to conduct its experimental verification.Methods The active ingredients of Qingre Kasen granules were obtained by TCMSP, and targets of active ingredients were obtained via BATMANTCM and Swiss Target Prediction platforms.Then the disease targets were obtained by searching Gene Cards and OMIM databases.The key targets were selected by intersection of active ingredient targets and disease targets. GO and KEGG enrichment analysis were performed by R language.The predicted results were verified by AutoDock Vina software and animal experiments.Results A total of 12 active ingredients,53 targets of active ingredients,8449 disease targets and 48 key targets were screened from Qingre Kasen granules.Beta-sitosterol, luteolin and anthocyanin-3-glucoside might be the core components of Qingre Kasen granules in treatment of fatty liver.It was speculated that Qingre Kasen granules regulated VEGF, MAPK, TNF, RAS, PI3K-Akt, HIF-1, IL-17, JAK-STAT, non-alcoholic fatty liver, hepatitis B and C signaling pathways through core targets of IL-6, EGFR, VEGF, MAPK1,PPARG to play a role in treatment of fatty liver.The results of molecular docking further demonstrated that the core components and targets of Qingre Kasen granules had good binding effects. The results of animal experiments were showing that Qingre Kasen granules could down-regulate the expression of IL-6, EGFR and VEGF in liver tissue and relieve fatty liver.Conclusion Network pharmacology-molecular docking further revealed the core components,key targets and signal pathways of Qingre Kasen granules in treatment of fatty liver, and it provided a new theoretical basis for its application in liver protection.