消积化瘀丸治疗非小细胞肺癌作用机制的网络药理学分析

目的:运用网络药理学方法,研究消积化瘀丸对非小细胞肺癌的潜在作用机制,分析其多成分-多靶点-疾病的相互关系.方法:收集消积化瘀丸的药物活性成分和潜在靶点,并在CTD数据库获取非小细胞肺癌的相关靶蛋白,进而筛选出药物活性成分与疾病的共享基因.利用Cytoscape软件构建蛋白互作网络图(PPI)并绘制成分-靶点、靶点-通路关系图.使用生物学信息注释库(DAVID)进行基因本体(GO)功能富集分析与基于京都基因和基因组百科全书(KEGG)通路富集分析研究其作用机制.结果:消积化瘀丸共92个药物活性成分可与非小细胞肺癌874个核心靶蛋白相互作用;网络分析显示关键靶蛋白有丝氨酸/苏氨酸蛋白激酶(AKT1)、白细胞介素6(IL6)以及丝裂原活化蛋白激酶1(MAPK1)等;成分-靶点网络图提示腺嘌呤(adenine)、硬脂酸(Stearic Acid)及胆固醇(Cholesterol)等是消积化瘀丸主要活性成分;糖类消化与吸收、内分泌等因素调节钙离子重吸收信号通路以及脂肪酸降解等信号通路是主要生物途径.结论:消积化瘀丸可能通过调节细胞糖代谢、抗炎等方面抑制肿瘤细胞增殖及增加细胞凋亡速率,多靶点、多通路发挥抗肿瘤作用.

Mechanism of Xiaoji Huayu Pill in the Treatment of Non-small Cell Lung Cancer Based on Network Pharmacology

Objective:To study the potential mechanism of Xiaoji Huayu Pill on non-small cell lung cancer and analyze the relationship between multi-component,multi-target and disease,by using network pharmacology.Methods:Collecting the active ingredients and potential targets of Xiaoji Huayu pill and obtaining target proteins of non-small cell lung cancer in CTD database,and then the shared genes between the active components and the disease were screened out.Protein-protein interaction network(PPI)was constructed by Cytoscape software,and the component-target and target-pathway relationships were drawn.Bioinformatics annotation library(DAVID)was used to analyze the function enrichment of gene ontology(GO)and the mechanism of the enrichment analysis based on Kyoto gene and Encyclopedia of Genomes(KEGG)pathway.Results:92 active components of Xiaoji Huayu Pill could interact with 874 core target proteins of NSCLC;Network analysis showed that the key target proteins were serine/threonine protein kinase(AKT1),interleukin-6(IL-6)and mitogenactivated protein kinase-1(MAPK1),etc.Component-target network diagram indicated adenine.The main active components of Xiaoji Huayu Pill are adenine,stearic acid and cholesterol,and the main biological pathways are Carbohydrate digestion and absorption signal pathway、Endocrine and other factor-regulated calcium reabsorption signal pathway、Fatty acid degradation signal pathway.Conclusion:Xiaoji Huayu Pill may inhibit the proliferation of tumor cells and increase the rate of apoptosis by regulating cell carbohydrate metabolism and anti-inflammation,and play an anti-tumor role through multiple targets and pathways.