基于网络药理学探讨慈丹胶囊治疗原发性肝癌的主要药效成分及靶点  

Investigation of the main pharmacodynamic components and targets of Cidan Capsule against primary liver cancer based on network pharmacology

作　　者：辜竹萌 陈怡妹 林贵祥 黄欣愉 贾佳 鄢占魁 高分飞 GU Zhumeng;CHEN Yimei;LIN Guixiang;HUANG Xinyu;JIA Jia;YAN Zhankui;GAO Fenfei(Shantou University Medical College,Shantou 515041,China;Department of Pharmacy,The Second Affiliated Hospital of Shantou University Medical College,Shantou 515041,China;Department of Pharmacology,Shantou University Medical College,Shantou 515041,China)

机构地区：[1]汕头大学医学院,广东汕头515041 [2]汕头大学医学院第二附属医院药学部,广东汕头515041 [3]汕头大学医学院药理学教研室,广东汕头515041

出　　处：《汕头大学医学院学报》2024年第4期193-199,共7页Journal of Shantou University Medical College

基　　金：广东省中医药局科研项目(20231197);广东省科技创新战略专项(大专项+任务清单)项目(STKJ2023050);广东省药学会临床用药研究基金(2023JZ17)。

摘　　要：目的:探讨慈丹胶囊治疗原发性肝癌的关键成分与作用靶点。方法:借助网络药理学相关数据库和分析平台(HERB、OMIM、Cytoscape等)预测慈丹胶囊治疗原发性肝癌的潜在靶点,构建蛋白质-蛋白质相互作用网络,进行GO和KEGG富集分析,采用Autodock软件进行分子对接,预测关键成分与作用靶点。进一步通过细胞增殖、细胞划痕、RT-qPCR等实验验证预测结果。结果:经网络药理学分析,筛选得到慈丹胶囊-原发性肝癌共同靶点32个,慈丹胶囊中发挥作用的主要核心成分为芹菜素、山豆根碱、槲皮素和山奈酚。分子对接结果表明慈丹胶囊对原发性肝癌有治疗作用的关键成分为芹菜素,靶点为CTNNB1蛋白,两者结合能为-1.537 kcal/mol。CCK-8细胞增殖和细胞划痕实验表明芹菜素对HepG2细胞增殖和迁移具有抑制作用,RT-qPCR实验表明芹菜素对HepG2细胞中CTNNB1基因的表达具有抑制作用。结论:慈丹胶囊治疗原发性肝癌的关键成分可能是芹菜素,作用靶点为CTNNB1蛋白;芹菜素能抑制HepG2细胞的增殖、迁移和CTNNB1基因的表达。Objective:To investigate the key components and targets of action of Cidan Capsule in the treatment of primary liver cancer.Methods:With the help of network pharmacology-related databases and analysis platforms(HERB,OMIM,Cytoscape,etc.),the potential targets of Cidan Capsule in the treatment of primary liver cancer were predicted,a protein-protein interaction network was constructed,GO and KEGG enrichment analysis was performed,and molecular docking was performed using Autodock software to predict key components and targets.The prediction results were further verified by experiments such as cell proliferation,cell scratch,and RT-qPCR.Results:Through network pharmacology analysis,32 common targets of Cidan Capsule-primary liver cancer were screened,and the main core components of Cidan Capsule were apigenin,sophorine,quercetin,and kaempferol.The molecular docking results showed that the key component of Cidan Capsule with therapeutic effect on primary liver cancer was apigenin,and the target was CTNNB1,and the binding energy of the two was-1.537 kcal/mol.The inhibitory effect of apigenin on the proliferation and migration of HepG2 cells was verified by CCK-8 cell proliferation and cell scratch experiments,and the inhibitory effect of apigenin on CTNNB1 gene expression in HepG2 cells was verified by RT-qPCR experiment.Conclusion:Apigenin may be the key component of Cidan Capsule in the treatment of primary liver cancer,and the target is CTNNB1;Apigenin can inhibit the proliferation,migration and CTNNB1 gene expression of HepG2 cells.

关 键 词：慈丹胶囊 原发性肝癌 网络药理学 芹菜素 CTNNB1 

分 类 号：R966[医药卫生—药理学]