基于网络药理学的康莱特注射液3种主要成分抗肿瘤机制研究

Network Pharmacology Study of Anticancer Mechanism of Three Main Components in Kanglaite Injection

关键词:  康莱特注射液  网络药理学  癌症  靶点  通路

Key words:  Kanglaite injection  network pharmacology  cancer  targets  pathways

摘要:

目的 利用网络药理学分析康莱特注射液3种主要成分的抗肿瘤作用机制。方法 以康莱特注射液中具有抗肿瘤作用的甘油三油酸酯、薏苡仁酯、薏苡素为研究对象，依托中药系统药理学数据库（TCMSP）、反向分子对接服务器（PharmMapper）、人类基因组注释数据库（GeneCards）、药物治疗靶标数据库（TTD）进行靶点预测和筛选，借助Cytoscape 3.5.1软件构建活性成分-靶点-疾病网络，借助STRING平台构建靶蛋白相互作用网络，通过DAVID平台对靶点基因本位生物过程和KEGG信号通路进行富集分析。结果 康莱特注射液活性成分作用于EGFR、PGR、PTGS2、AR、MAPK1等25个潜在抗肿瘤靶点，调控FoxO、前列腺癌、癌症、Rap1、TNF、Ras、MAPK信号通路，参与细胞增殖调控、蛋白激酶B信号调控、环氧合酶途径、细胞迁移调控等生物过程，可用于20多种癌症的治疗。结论 本研究为进一步深入研究康莱特注射液抗肿瘤机制提供了新的线索与思路。

Abstract:

OBJECTIVE To study the anti-cancer mechanism of three main components in Kanglaite injection by using network pharmacology. METHODS Triolein, coixenolide, coixol were screened from Kanglaite injection as the representative compound. Anticancer targets of Kanglaite injection were predicted and screened relying on traditional Chinese medicine pharmacology system technology platform (TCMSP) database, reverse molecular docking server(PharmMapper), annotation of the human genome database (GeneCards) and Drug treatment target database(TTD). The Cytoscape 3.5.1 software was used to construct active ingredients-targets-diseases network. The STRING platform was used to construct protein-protein interaction network. And Biological information annotation databases(DAVID) was used to analyze metabolic pathways and biological processes of the targets. RESULTS Kanglaite injection acted on 25 cancer targets, regulated FoxO, prostate cancer, cancer, Rap1, TNF, Ras, MAPK metabolic pathways and were mainly involved in regulation of cell proliferation, regulation of protein kinase B signaling, cyclooxygenase pathway, regulation of cell migration, could be used for more than 20 cancers. CONCLUSION It provides a new clues and ideas for further in-depth studying on anti-cancer mechanism of Kanglaite injection.