【摘要】 目的：基于网络药理学的方法探索虎杖中对非小细胞肺癌（NSCLC）有治疗作用的有效成分及其可能的机制。方法：在中药系统药理学数据库与分析平台（TCMSP）中筛选虎杖的有效成分、预测药物靶点；在在线人类孟德尔遗传数据库（OMIM）、药物靶标数据库（TTD）、GeneCards和DrugBank等数据库中检索NSCLC的相关靶点；对虎杖药物靶点和NSCLC疾病靶点取交集，利用String蛋白数据库平台绘制蛋白互作（PPI）网络图，导入至Cytoscape 3.8.0软件中进行分析获得潜在核心靶点，AutoDockTools软件对有效成分和核心潜在靶点进行分子对接验证；在Metascape基因功能分析网站中对潜在核心靶点进行基因本体（GO）和京都基因与基因组百科全书（KEGG）富集分析。结果：获得虎杖有效成分18个，药物靶点296个，虎杖对NSCLC的潜在核心靶点179个。网络分析显示虎杖作用于NSCLC的关键有效成分包括白藜芦醇、槲皮素、芹菜素、木犀草素和大黄素，关键靶点包括p53肿瘤蛋白（TP53）、v-AKT鼠胸腺瘤病毒癌基因同源物1 (AKT1)、胱天蛋白酶3 (CASP3)、血管内皮生长因子A (VEGFA)、胰岛素（INS）等，分子对接结果也显示关键有效成分与关键靶点蛋白具有较好的对接活性。GO富集和KEGG通路分析显示虎杖作用于NSCLC的途径包括经典的癌症通路、PI3K-Akt信号通路、MAPK信号通路、P53信号通路、TNF信号通路等。结论：通过网络药理学分析提示虎杖中的多个有效成分，可以作用于多个靶点，通过多个途径作用于NSCLC。更多还原

【Abstract】 Objective: To explore the effective components of the traditional Chinese medicine Polygonum cuspidatum and their possible mechanisms on Non-small Cell Lung Cancer(NSCLC) based on the method of network pharmacology.Methods: The active ingredients of Polygonum cuspidatum was screened and the drug target was precdicted in the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP). Relevant disease targets of NSCLC were screened in databases such as Online Mendelian Inheritance in Man(OMIM), Therapeutic Target Database(TTD),GeneCards and DrugBank.The Protein-Protein Interaction(PPI) network of core targets was constructed on the String database platform, the results were imported into cytoscape3.8.0 for analysis, AutoDockTools software was used to perform the molecular docking of active ingredients and core potential targets. Finally, Gene Ontology(GO) function enrichment and Kyoto encyclopedia of genes and genomes(KEGG) pathway analysis of potential core targets was performed on the Metascape gene function analysis website. Results: We finally acquired 18 active ingredients of Polygonum cuspidatum, 296 drug targets, and 179 potential core targets of Polygonum cuspidatum for NSCLC. The results of the network analysis shows that the key active ingredients of Polygonum cuspidatum for NSCLC include resveratrol,quercetin,apigenin, luteolin and emodin. The PPI network shows that the key targets include TP53, AKT1, CASP3, VEGFA, INS,and so on. The molecular docking results also show that there are good docking activities between the key active ingredients and key target proteins. GO function enrichment and KEGG pathway analysis showed that the pathways of Polygonum cuspidatum acting on NSCLC include classic cancer pathway,PI3K-Akt,MAPK,P53,TNF signaling pathway and so on.Conclusion:Polygonum cuspidatum contains multiple active ingredients,which can act on multiple targets through multiple pathways on NSCLC.更多还原