基于网络药理学探讨柴胡治疗乳腺癌的作用机制  

Based on the Network Pharmacology to Explore the Mechanism of Action of Radix Bupleuri Treatment of Breast Cancer

作　　者：陈笑天 刘亚丽 李聪 邓雅琼 肖欢 CHEN Xiaotian;LIU Yali;LI Cong;DENG Yaqiong;XIAO Huan(Nanchang Medical College,Nanchang 330052,China)

机构地区：[1]南昌医学院,江西南昌330052

出　　处：《山东化工》2025年第4期41-44,48,共5页Shandong Chemical Industry

基　　金：江西省教育厅科技项目(GJJ218917)。

摘　　要：目的:利用网络药理学探讨柴胡治疗乳腺癌的作用机制。方法:采用TCMSP数据库获取柴胡的化学成分,使用Pubchem数据库获得成分的SMILES信息,将成分SMILES信息输入SwissTargetPrediction数据库获得成分靶点;使用Genecards、OMIM等数据库获得乳腺癌疾病靶点,绘制Venn图获得柴胡成分靶点与乳腺癌靶点的交集靶点;采用String网站构建蛋白互作网络(PPI)图,得到的结果用Cytoscape软件处理,筛选靶点degree值;使用DAVID数据库进行GO和KEGG通路分析;使用Autodock软件进行分子对接,验证网络药理学结果。结果:柴胡中14个活性成分,调控乳腺癌的381个靶点,前4关键活性成分为槲皮素、矮千牛素、山奈酚、异鼠李素,前5核心靶点为SRC、HSP90AA1、EGFR、AKT1和TNF,作用机制涉及neuroactive ligand-receptor interaction,cancer pathway,cAMP signaling pathway,PI3K-Akt signaling pathway,prolactin signaling pathway等。分子对接结果发现4种成分与5个核心靶点具有较好的亲和作用。结论:柴胡治疗乳腺癌具有多通路、多靶点的特点,黄酮类成分可能是其发挥作用的核心成分。Objective:To explore the mechanism of Radix bupleuri in the treatment of breast cancer by network pharmacology.Methods:TCMSP database was used to obtain the chemical composition of Radix bupleuri,Pubchem database was used to obtain the SMILES information of the component,and SwissTargetPrediction database was entered to obtain the component target.Genecards,OMIM and other databases were used to obtain the targets of breast cancer,and Venn diagram was drawn to obtain the intersection targets of Radix bupleuri component targets and breast cancer targets.The protein interaction network(PPI)map was constructed using String web site,and the obtained result was processed by Cytoscape software to screen the target degree value.GO and KEGG path analysis using DAVID database;Molecular docking was performed using Autodock software to verify the network pharmacological results.Result:There were 14 active components in Bubularum,which regulated 381 targets of breast cancer.The top 4 key active components were quercetin,pyranin,kaempferol and isorhamnetin,and the top 5 core targets were SRC,HSP90AA1,EGFR,AKT1 and TNF.neuroactive ligand-receptor interaction,cancer pathway,cAMP signaling pathway,PI3K-Akt signaling pathway,prolactin signaling pathway,etc.The results of molecular docking showed that the four components had good affinity with the five core targets.Conclusion:Radix bupleuri has the characteristics of multi-pathway and multi-target in the treatment of breast cancer.Flavonoids may be the core components of Radix bupleuri.

关 键 词：柴胡 乳腺癌 网络药理学 分子对接 

分 类 号：TQ461[化学工程—制药化工]