基于网络药理学探讨隐丹参酮抗非小细胞肺癌的作用机制  

Study on mechanism of cryptotanshinone against non-small cell lung cancer based on network pharmacology

作　　者：汤姝[1] 吴占申 李纳[1] 温强[2] 康建[1] 张晓坚[1] TANG Shu;WU Zhan-shen;LI Na;WEN Qiang;KANG Jian;ZHANG Xiao-jian(Dept of Pharmacy,The First Affiliated Hospital of Zhengzhou University,Zhengzhou 450052,China;Institute of Clinical Pharmacology,Zhengzhou University,Zhengzhou 450001,China)

机构地区：[1]郑州大学第一附属医院药学部,河南郑州450052 [2]郑州大学临床药理研究所,河南郑州450001

出　　处：《中国药理学通报》2022年第1期119-125,共7页Chinese Pharmacological Bulletin

基　　金：国家自然科学基金资助项目(No 81703759)。

摘　　要：目的利用网络药理学和生物信息学方法对隐丹参酮(CTS)抗非小细胞肺癌(NSCLC)的机制进行较为全面的探讨。方法以CTS为研究对象,使用TCMSP数据库、SwissTargetPrediction以及PharmMapper靶点预测平台收集CTS相关靶点;使用OMIM数据库、GeneCards数据库以及TCGA数据库收集NSCLC相关靶点;使用String数据库以及Cytoscape软件构建交集靶点的PPI网络图,并筛选出核心靶点,用AutoDock Vina进行分子对接验证;运用R语言的clusterProfiler包对交集靶点进行GO和KEGG富集分析;使用Cytoscape软件构建"CTS-交集靶点-KEGG通路"网络。结果得到交集靶点75个,主要涉及信号传导、磷酸化与去磷酸化、细胞凋亡与血管调节等多种生物过程,CTS主要通过胰腺癌、大肠癌、癌症途径、JAK-STAT信号通路、细胞凋亡以及自然杀伤细胞介导的细胞毒性等通路发挥其抗NSCLC作用。结论 CTS通过多靶点、多通路来发挥其抗NSCLC作用,为其进一步深入研究提供了理论上的支持。Aim To explore the mechanism of cryptotanshinone(CTS) against non-small cell lung cancer(NSCLC) by using network pharmacology and bioinformatics methods. Methods Taking CTS as the research object, TCMSP database, SwissTargetPrediction and PharmMapper target prediction platform were used to collect CTS related targets;OMIM database, GeneCards data-base and TCGA database were employed to collect NSCLC related targets;String database and Cytoscape software were applied to construct PPI of intersection targets Network diagram, the hub targets were screened out, and AutoDock Vina was used for molecular docking verification;the R language clusterProfiler package was used to perform GO and KEGG enrichment analysis on the intersection targets;Cytoscape software was employed to construct the “CTS intersection targets-KEGG pathway” network. Results As a result, 75 intersecting targets were obtained, mainly involving various biological processes such as signal transduction, phosphorylation and dephosphorylation, apoptosis and vascular regulation, mainly through pancreatic cancer, colorectal cancer, cancer pathways and JAK-STAT signaling pathways. And cellular pathways such as apoptosis and natural killer cell-mediated cytotoxicity exerted their anti-NSCLC effects. Conclusions CTS exerts its anti-NSCLC effect through multiple targets and multiple pathways, which provides the theoretical support for further in-depth research.

关 键 词：网络药理学 生物信息学 隐丹参酮 非小细胞肺癌 分子对接 作用机制 

分 类 号：R284.1[医药卫生—中药学] R285.5[医药卫生—中医学]