基于网络的药理学研究探讨补血理气化痰汤治疗肺癌的作用机制。
Network-Based Pharmacological Study on the Mechanism of Action of Buxue Liqi Huatan Decoction in the Treatment of Lung Cancer.
机构信息
Department of Thoracic Surgery, Renji Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai, China.
出版信息
Comput Intell Neurosci. 2022 Aug 19;2022:3418687. doi: 10.1155/2022/3418687. eCollection 2022.
OBJECTIVE
This study aimed to investigate the mechanism of action of Buxue Liqi Huatan decoction against lung cancer through network pharmacology.
METHODS
The chemical composition and targets of all the drugs in the Buxue Liqi Huatan decoction were obtained through the Database and Systematic Analysis Platform of Traditional Chinese Medicine Pharmacology, the Integrated Database of Traditional Chinese Medicine, and by screening lung cancer targets with the gene map and OMIM database. The targets were then imported into Cytoscape 3.7.2 to build a target network of active ingredients and imported into the STRING database to build a protein-protein interaction network. The BisoGenet plug-in in Cytoscape 3.7.2 was used for network topology analysis. Genetic ontology (GO) enrichment analysis and Kyoto Encyclopedia of Gene and Genomes (KEGG) enrichment analysis were performed on potential targets of the Buxue Liqi Huatan decoction for lung cancer using the R-language Bioconductor platform, and results were imported from Cytoscape 3.7.2 to obtain the KEGG network connection diagram via the Autodock molecular docking software.
RESULTS
A total of 238 chemical components and 694 disease targets were obtained, including 133 intersecting targets. The key targets included TP53, AKT1, and MYC, and the GO functional analysis was mainly related to oxidative and cellular oxidative stress, apoptotic signaling, and antibiotic response. The results showed that the key target with the best binding performance was TP53.
CONCLUSION
The treatment of lung cancer with blood-supplementing, qi-transforming, and phlegm-transforming soups works through multiple components and targets. The active ingredients include quercetin, luteolin, naringenin, and baicalein. Among them, the core proteins of PPI protein interaction mainly include TP53, AKT1, MYC, EGRF, CCNB1, and ESR1. The enrichment analysis results show that the TNF signal pathway, PI3K-Akt signal pathway, AGE-RAGE, IL-17, etc., are the main signal pathways of Buxue Liqi Huatan decoction in treating lung cancer. This lays the foundation for further study of its mechanism.
目的
本研究旨在通过网络药理学探讨补血理气化痰汤治疗肺癌的作用机制。
方法
通过中药药理学数据库与系统分析平台、中药整合数据库筛选补血理气化痰汤所有药物的化学成分和靶点，并通过基因图谱和 OMIM 数据库筛选肺癌靶点。将靶点导入 Cytoscape 3.7.2 构建活性成分靶标网络，导入 STRING 数据库构建蛋白质-蛋白质相互作用网络，采用 Cytoscape 3.7.2 中的 BisoGenet 插件进行网络拓扑分析。利用 R 语言 Bioconductor 平台对补血理气化痰汤治疗肺癌的潜在靶点进行基因本体（GO）富集分析和京都基因与基因组百科全书（KEGG）通路富集分析，结果从 Cytoscape 3.7.2 导入，通过 Autodock 分子对接软件获取 KEGG 网络连接图。
结果
共获得 238 个化学成分和 694 个疾病靶点，其中有 133 个交集靶点。关键靶点包括 TP53、AKT1 和 MYC，GO 功能分析主要与氧化和细胞氧化应激、凋亡信号和抗生素反应相关。结果表明，具有最佳结合性能的关键靶标是 TP53。
结论
补血理气化痰汤治疗肺癌作用于多个成分和靶点，涉及多种机制。该方的活性成分包括槲皮素、木樨草素、柚皮苷和黄芩素等。其中 PPI 蛋白相互作用的核心蛋白主要包括 TP53、AKT1、MYC、EGRF、CCNB1 和 ESR1 等。富集分析结果表明，TNF 信号通路、PI3K-Akt 信号通路、AGE-RAGE、IL-17 等是补血理气化痰汤治疗肺癌的主要信号通路，为进一步研究其作用机制奠定了基础。
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