基于网络药理学及分子对接分析二陈汤抗肺癌的作用机制  

Analysis of mechanism of Erchen Decoction against lung cancer based on network pharmacology and molecular docking

作　　者：刘照艳 张亮[2] 孟令占[2] LIU Zhaoyan;ZHANG Liang;MENG Lingzhan(The First School of Clinical Medicine,Guizhou University of Traditional Chinese Medicine,Guizhou Province,Guiyang550025,China;Department of Oncology,Chongqing Hospital of Traditional Chinese Medicine,Chongqing400021,China)

机构地区：[1]贵州中医药大学第一临床医学院,贵州贵阳550025 [2]重庆市中医院肿瘤科,重庆400021

出　　处：《中国当代医药》2023年第34期4-7,13,F0003,F0004,共7页China Modern Medicine

基　　金：国家自然科学基金委员会资助项目(81904039);中国博士后科学基金面上资助项目(2022M710551)。

摘　　要：目的采用网络药理学及分子对接技术分析二陈汤治疗肺癌的作用机制。方法通过中药系统药理学数据库与分析平台(TCMSP)获取二陈汤的成分及相关靶点,文献检索时间为2022年11月24日至2023年3月31日。从GeneCards、OMIM、PharmGKB等数据库分别获取肺癌的相关靶点并筛选出与二陈汤靶点基因的交集基因;构建蛋白互作PPI网络,R语言可视化关键蛋白的生物功能和通路富集;分子对接验证二陈汤中主要活性成分与靶点蛋白的结合能力。结果筛选得到二陈汤有效成分142种,有效成分靶点229个,与肺癌共同靶点227个。生物功能涉及外来生物刺激、对脂多糖的反应及细胞对化学应激的反应等。通路富集分析主要涉及晚期糖基化终末产物-受体信号通路、脂质和动脉粥样硬化、人巨细胞病毒感染通路、化学致癌-受体激活、白介素-17信号通路等。分子对接显示核心靶点可与药物有效成分稳定对接。结论二陈汤可能通过槲皮素、松柏苷、柚皮素等多种活性成分,多靶点、多通路发挥其抗肺癌作用。Objective To analyze the mechanism of Erchen Decoction in the treatment of lung cancer by network pharmacology and molecular docking technology.Methods The components and related targets of Erchen Decoction were obtained through the traditional Chinese medicine system pharmacology database and analysis platform(TCMSP),and the literature search period was from November 24,2022 to March 31,2023.The relevant targets of lung cancer were obtained from GeneCards,OMIM,PharmGKB and other databases,and the intersection genes with the target genes of Erchen Decoction were screened.The PPI network of protein interaction was constructed,and the biological functions and pathways of key proteins were enriched by R language visualization.Molecular docking verified the binding ability of the main active ingredients in Erchen Decoction to target proteins.Results There were 142 kinds of active components,229 active component targets and 227 common targets with lung cancer in Erchen Decoction.Biological functions involve foreign biological stimuli,response to lipopolysaccharides and cell response to chemical stress.Pathway enrichment analysis mainly involved advanced glycatien endproducts-receptor for advanced glycation end products signaling pathway,lipid and atherosclerosis pathway,human cytomegalovirus infection pathway,chemical carcinogenic-receptor activation,interleukin-17 signaling pathway,etc.Molecular docking showed that the core target could be stably docked with the active ingredient of the drug.Conclusion Erchen Decoction may play a role in the prevention and treatment of Lung Cancer through a variety of chemically active components such as quercetin,coniferin,and naringenin,with multiple targets and multiple pathways.

关 键 词：二陈汤 肺癌 网络药理学 分子对接 

分 类 号：R734.2[医药卫生—肿瘤]