基于网络药理学方法研究“黄芪–当归”药对治疗非小细胞肺癌的潜在机制

Study on the Potential Mechanisms of Huangqi-Danggui Drug Pair in the Treatment of Non-Small Cell Lung Cancer Based on Network Pharmacology Approach

目的:通过网络药理学的方法探讨“黄芪–当归”药对治疗非小细胞肺癌(Non-Small Cell Lung Cancer, NSCLC)的潜在机制。方法:通过在线生物信息学工具获得黄芪–当归药对的活性成分和其相对应的靶点,以及NSCLC相关靶点,进而获得黄芪–当归药对与NSCLC的共有靶点,用以构建蛋白–蛋白相互作用(PPI)网络和筛选出核心靶点,并进行基因本体论(GO)分析和京都基因和基因组百科全书(KEGG)通路富集分析,最终建立药对–成分–靶点–通路网络。结果:筛选出黄芪–当归药对治疗NSCLC的主要活性成分和核心靶点。黄芪–当归药对治疗NSCLC的主要活性成分为槲皮素、紫花前胡醇当归酯和前胡素,其核心靶点为SRC、STAT3、AKT1、TP53、HSP90AA1、PIK3CA等。此外,黄芪–当归药对在NSCLC治疗中可能作用于PI3K/Akt和JAK/STAT信号通路。结论:黄芪–当归药对可能通过多成分、多靶点、多途径在NSCLC的治疗中发挥作用,为进一步的实验验证提供了思路与思考。

Objective: This paper aims to study on the potential mechanisms of Huangqi-Danggui (HQ-DG) drug pair in the treatment of Non-Small Cell Lung Cancer (NSCLC) by methods of network pharmacology. Approach: Through online bioinformatics tools the active components of HQ-DG drug pair and their corresponding targets, as well as NSCLC related targets, were obtained, and then the common tar-gets of HQ-DG drug pair and NSCLC were obtained to construct protein-protein interaction (PPI) networks and screen out core targets, and perform gene ontology (GO) analysis and Kyoto Encyclo-pedia of Genes and Genomes (KEGG) pathway enrichment analysis to establish the drug-component-target-pathway network. Results: The capital active components and core targets of HQ-DG drug pair for the treatment of NSCLC were selected. The capital active components of HQ-DG drug pair for the treatment of NSCLC are quercetin, Decursinol angelate (DA), and Decursin (D);the core targets are SRC, STAT3, AKT1, TP53, HSP90AA1, PIK3CA and so on. Besides, HQ-DG drug pair is likely to act on PI3K/AKT signal pathway and JAK/STAT signal pathway in the treat-ment of NSCLC. Conclusion: The study indicates that HQ-DG drug pair might play a role in the treat-ment of NSCLC through multi-components, multi-targets, and multi-pathways, and provides ideas and thoughts for further experimental verification.