基于网络药理学探析复方菝葜治疗非小细胞肺癌的机制  

Study on the Mechanism of Compound Baqia(Smilacis Chinae Rhizoma)in the Treatment of Non-small Cell Lung Cancer Based on Network Pharmacology

作　　者：朱立华 周融融 黄生武 何丹 张海潮 谢谊[2] ZHU Lihua;ZHOU Rongrong;HUANG Shengwu;HE Dan;ZHANG Haichao;XIE Yi(Hunan Guohua Pharmaceutical Co.,Ltd,Changsha Hunan 410013,China;Hunan Academy of Chinese Medicine,Changsha Hunan 410013,China;Graduate School,Hunan University of Chinese Medicine,Changsha Hunan 410208,China)

机构地区：[1]湖南国华制药有限公司,湖南长沙410013 [2]湖南省中医药研究院,湖南长沙410013 [3]湖南中医药大学研究生院,湖南长沙410208

出　　处：《中医药导报》2023年第8期132-139,共8页Guiding Journal of Traditional Chinese Medicine and Pharmacy

基　　金：湖南省科技计划项目(2016SK2048)。

摘　　要：目的:通过网络药理学探究复方菝葜(FFBQ)治疗非小细胞肺癌(NSCLC)的潜在作用机制。方法:从《中华人民共和国药典》、中药系统药理学数据库与分析平台(TCMSP)、中国知网、PubChem中收集归纳FFBQ中8味药材的成分、归经及靶标信息;以口服生物利用度(OB)≥30%和类药性(DL)≥0.18为条件筛选FFBQ的潜在活性成分及靶标;通过OMIM、GeneCards、DisGeNET疾病数据库查询NSCLC相关靶标。利用STRING平台构建成分-疾病靶标的蛋白-蛋白互作网络;采用Cytoscape 3.7.1软件实现归经、药材-活性成分-靶标等多层次复杂网络关系的可视化。对经网络筛选获得的关键靶标,在DAVID平台进行基因本体(GO)注释和京都基因与基因组百科全书(KEGG)通路富集分析,并通过分子对接模拟活性成分作用于靶蛋白的结合情况。结果:肺经和肝经为FFBQ治疗NSCLC的主要病位。筛选到FFBQ的99个潜在活性成分,可作用于63个与NSCLC共享的交集靶标,并通过MAPK、PI3K-Akt和JAK-STAT等信号通路参与细胞周期调控、信号转导、细胞增殖调控等,发挥治疗NSCLC的作用。结论:复方菝葜中的槲皮素、花旗松素和落新妇苷等核心成分可能通过调节MYC、TP53和EGFR等关键靶点及MAPK、PI3K-Akt等信号通路控制肿瘤细胞的凋亡、转录、代谢,从而达到治疗NSCLC的效果。Objective:To explore the potential mechanism of Compound Baqia(Smilacis Chinae Rhizoma)(FFBQ)in the treatment of non-small cell lung cancer(NSCLC)through network pharmacology.Methods:The ingredients,meridians,and target information of 8 medicinal herbs in FFBQ were collected and summarized from the Chinese Pharmacopoeia,TCMSP database,CNKI,PubChem and other platforms.The potential active ingredients and targets of FFBQ were screened on the condition that oral bioavailability(OB)≥30%and drug like(DL)≥0.18.NSCLC related targets were queried through OMIM,GeneCards,DisGeNET disease databases.STRING platform was employed to construct a protein-protein interaction network between component and disease.Cytoscape 3.7.1 software was uesd to realizes the visualization of multi-level complex network relationships such as meridian network,and herbs-active ingredients-targets network.GO annotation and KEGG pathway enrichment analysis were performed on David platform for the hub targets obtained by network screening,and simulate the binding of active ingredients to target proteins through molecular docking.Results:Lung meridian and liver meridian were the main disease sites of FFBQ in the treatment of NSCLC.A total of 99 potential active ingredients of FFBQ were screened,which can act on 63 intersection targets shared with NSCLC.It participates in cell cycle regulation,signal transduction and cell proliferation regulation through multiple signal pathways such as MAPK,PI3K Akt and JAK-STAT,and plays a therapeutic role in NSCLC.Conclusion:The core components of FFBQ such as quercetin,taxifolin and astilin,may control apoptosis,transcription and metabolism of tumor cells by regulating key targets such as MYC,TP53 and EGFR and signaling pathways such as MAPK and PI3K-Akt to achieve the therapeutic effect of NSCLC.

关 键 词：非小细胞肺癌 复方菝葜 网络药理学 

分 类 号：R273[医药卫生—中西医结合]