文献类型：期刊文献

中文题名：基于网络药理学和分子对接探讨艾灸经皮吸收成分干预慢性阻塞性肺疾病作用机制

英文题名：Discussion on the Mechanism of Moxibustion Transdermal Absorption of Components in the Intervention of COPD Based on Network Pharmacology and Molecular Docking

作者：张晓凌[1,2];张旭辉[1];支晓东[2];毛忠南[1]

第一作者：张晓凌

机构：[1]甘肃中医药大学附属医院,甘肃兰州730000;[2]甘肃中医药大学,甘肃兰州730000

第一机构：甘肃中医药大学第二附属医院

年份：2023

卷号：47

期号：4

起止页码：26

中文期刊名：中国中医药图书情报杂志

外文期刊名：Chinese Journal of Library and Information Science for Traditional Chinese Medicine

基金：甘肃省中医药管理局科研课题(GZK-2019-38)。

语种：中文

中文关键词：艾灸;经皮吸收成分;慢性阻塞性肺疾病;网络药理学;分子对接;信号通路;活性成分

外文关键词：moxibustion;transdermal absorption of components;COPD;network pharmacology;molecular docking;signal pathway;active components

摘要：目的采用网络药理学方法探索艾灸经皮吸收成分干预慢性阻塞性肺疾病(COPD)的作用机制。方法检索TCMSP数据库获得艾叶的有效成分,在UniProt数据库转换为统一靶点名。分别检索DrugBank、OMIM、DisGeNET、GeneCards数据库获取COPD主要靶点;经Venny2.1.0映射后在STRING数据库得到初步PPI网络关系,再用Cytoscape软件分析网络拓扑学特征属性、挖掘内部聚类。经筛选确定艾叶作用于COPD的关键化合物成分。通过DAVID6.8软件对合并得到的靶点分别进行GO、KEGG分析。构建“艾叶成分-COPD靶点-通路”网络关系。并利用分子对接技术对结果进行验证。结果筛选出5个艾叶燃烧时活性成分,得到靶点215个,分析得出槲皮素、异泽兰黄素和阿亚黄素为核心成分;筛选出COPD相关靶点1280个;最终预测出艾灸治疗COPD的核心靶点72个,构建“药物活性成分-靶点-通路”网络,得到176个作用靶点,32942个相互关系。分析显示,瞬时受体电位热传导通道、Toll样受体信号、缺氧诱导因子-1信号、磷脂酰肌醇3’-激酶-Akt、核糖体介导是主要通路。分子对接结果显示,艾叶中槲皮素、异泽兰黄素、阿亚黄素等与主要靶点PIK3CD、PIK3CA、PIK3CG、AKT1、MAPK1结合活性强,艾叶受体生物大分子与配体小分子有相互作用关系。结论艾灸过程中黄酮类的多个成分经皮吸收,与COPD多个靶点通过热传导瞬时受体电位、抗炎、调节氧平衡稳态、影响细胞功能、防止骨骼肌萎缩等多种途径协同发挥治疗作用。
Objective To explore the mechanism of moxibustion transdermal absorption of components in the intervention of chronic obstructive pulmonary disease(COPD)by network pharmacology.Methods The effective components of Artemisiae Argyi Folium were obtained by searching TCMSP database,and converted into unified target names in UniProt database.The main targets of COPD were obtained by searching four network databases including DrugBank,OMIM,DisGeNET,GeneCards.Preliminary PPI network relationship was obtained in String database after mapping by Venny2.1.0.Then Cytascape software was used to analyze network topology feature attributes and mine internal clustering.The key compound components of Artemisiae Argyi Folium acting on COPD were identified through screening.GO and KEGG analysis were performed on the merged targets through DAVID6.8 software.The network relationship of“Artemisiae Argyi Folium-COPD target-pathway”was constructed.The results were verified by molecular docking technology.Results Five active components were screened out from Artemisiae Argyi Folium during combustion,obtaining 215 targets,and quercetin,isoranthin and ayafanthin were analyzed as the core components.1280 COPD related targets were screened out.Finally,72 core targets for moxibustion treatment of COPD were predicted,and a network of“drug active component-target-pathway”was constructed,176 targets and 32942 interrelationships were obtained.Analysis results showed that transient receptor potential heat conduction channel,Toll-like receptor signal,hypoxia-inducible factor-1 signal,phosphatidylinositol 3'-kinase Akt,ribosomemediated were the main action pathways.Molecular docking results showed that quercetin,isiselanthafrin and ayafrin in Artemisiae Argyi Folium had strong binding activities with the main targets of PIK3CD,PIK3CA,PIK3CG,AKT1 and MAPK1.There was interaction relationship between the biological macromolecule of Artemisiae Argyi Folium receptor and the small molecule of ligand.Conclusion The multiple components of flavonoids in Artemisiae Argyi Folium play a synergistic role with multiple targets and multiple pathways of COPD,mainly through percutaneous absorption in the process of moxibustion,anti-inflammation,regulation of oxygen balance and homeostatic,affecting cell function,preventing skeletal muscle atrophy and other pathways.