基于网络药理学及分子对接探究蒲公英治疗脓毒症急性肺损伤的作用机制  

Investigating the Mechanism of Dandelion in Treating Sepsis-Induced Acute Lung Injury through Network Pharmacology and Molecular Docking

作　　者：王静 王邵宣 李璐璐 陶子爱 董尚林 赵自刚[2,5] Wang Jing;Wang Shaoxuan;Li Lulu;Tao Ziai;Dong Shanglin;Zhao Zigang(Life Science Centre,Hebei North University;Institute of Microcirculation,Hebei North University;College of Traditional Chinese Medicine,Hebei North University;First Affiliated Hospital,Hebei North University;College of Basic Medical Sciences,Hebei North University,Zhangjiakou,China)

机构地区：[1]河北北方学院生命科学研究中心 [2]河北北方学院微循环研究所 [3]河北北方学院中医学院 [4]河北北方学院附属第一医院 [5]河北北方学院基础医学院

出　　处：《实用休克杂志（中英文）》2024年第2期93-97,共5页Journal of Practical Shock

基　　金：河北北方学院自然科学研究面上项目(项目编号:XJ2024019)。

摘　　要：目的探讨蒲公英治疗脓毒症急性肺损伤的作用机制。方法通过BATMAN、HERB、TCM-ID和SYMMAP等数据库筛选蒲公英活性成分及靶点。通过CTD、GeneCards、DisGeNET、OpenTargets等数据库获得脓毒症和急性肺损伤靶点,与蒲公英靶点取交集获得蒲公英-脓毒症-急性肺损伤共同靶点。通过Cytoscape软件构建药物-活性成分-靶点-疾病网络图。STRING数据库构建蛋白互作网络筛选核心靶点。Cytoscape软件构建药物-成分-靶点-通路-疾病网络。使用AutoDock对活性成分和核心靶点进行分子对接。结果共获得蒲公英有效成分9个和潜在作用靶点560个,脓毒症相关靶点867个,急性肺损伤相关靶点488个,蒲公英-脓毒症-急性肺损伤共同靶点141个。核心靶点有TP53、IL6、STAT3、TNF、JUN、AKT1、IL1B、NFKB1等。利用R软件对共同靶点进行GO和KEGG分析并可视化。共富集到178条信号通路,3189个细胞生物学过程。分子对接结果表明9个活性成分与核心靶点具有较高亲和活性。结论蒲公英可通过多成分、多靶点、多通路的特点对脓毒症急性肺损伤起到干预作用,为蒲公英在治疗脓毒症急性肺损伤中的应用及后续实验验证提供了一定的依据。Objective To explore the mechanism of dandelion in treating sepsis-induced acute lung injury(ALI)using network pharmacology and molecular docking techniques.Methods Active components and targets of dandelion were screened from databases such as BATMAN,HERB,TCM-ID,and SYMMAP.Sepsis and ALI targets were obtained from CTD,GeneCards,DisGeNET,and OpenTargets,and intersected with dandelion targets to identify common targets.Cytoscape was used to construct a drug-component-target-disease network,and STRING was used to build a protein-protein interaction network to identify key targets.Molecular docking of active components with key targets was performed using AutoDock.Results Nine active components of dandelion and 560 potential targets were identified,with 867 sepsis-related and 488 ALI-related targets.There were 141 common targets between dandelion,sepsis,and ALI.Key targets included TP53,IL6,STAT3,TNF,JUN,AKT1,IL1B,and NFKB1.GO and KEGG analysis using R software revealed 178 signaling pathways and 3189 biological processes.Molecular docking indicated high affinity between the nine active components and key targets.Conclusions Dandelion may intervene in sepsis-induced ALI through multi-component,multi-target,and multi-pathway mechanisms,providing a basis for its application in treatment and further experimental validation.

关 键 词：蒲公英 脓毒症 急性肺损伤 网络药理学 

分 类 号：R285[医药卫生—中药学]