基于网络药理学和分子对接探讨保儿宁颗粒治疗呼吸道感染的作用机制  

Study of Mechanism of Bao’erning Granule in Treating Respiratory Infection based on Network Pharmacology and Molecular Docking

作　　者：张翠英 黄晓飞 马广松[2] ZHANG Cuiying;HUANG Xiaofei;MA Guangsong(Beijing Shou’er Pharmaceutical Co.,Ltd.,Beijing 101304,China;Capital Children’s Research Institute,Beijing 100020,China)

机构地区：[1]首儿药业(北京)有限公司,北京101304 [2]首都儿科研究所,北京100020

出　　处：《生物化工》2025年第1期11-18,共8页Biological Chemical Engineering

摘　　要：目的:基于网络药理学和分子对接探讨保儿宁颗粒治疗呼吸道感染的作用机制。方法:通过TCMSP、HERB数据库筛选保儿宁颗粒的成分和靶点,Genecards、OMIM数据库筛选呼吸道感染作用靶点,STRING数据库构建保儿宁颗粒、呼吸道感染、凋亡的蛋白质-蛋白质相互作用网络,利用DAVID数据库进行基因本体功能和京都基因与基因组百科全书(通路)富集分析,采用分子对接技术对主要活性成分与核心靶点进行分子对接。结果:保儿宁颗粒中有58个有效成分,并获得122个保儿宁颗粒-呼吸道感染-凋亡的交集靶点。结论:保儿宁颗粒治疗呼吸道感染可能与抗炎、抗氧化、抑制凋亡的作用机制有关,主要涉及多成分(槲皮素、毛蕊异黄酮、山柰酚、豆甾醇和β-谷甾醇)、多靶点(CASP3、BAX、TNF、IL6和IL1β的核心靶点)、多通路(TNF信号通路、PI3K-Akt信号通路、IL-17信号通路、HIF-1信号通路和凋亡等信号通路)。Objective:To investigate the mechanism of Bao’erning granule in the treatment of respiratory tract infection base on network pharmacology and molecular docking.Methods:The components and targets of Bao’erning granule are screened by TCMSP and HERB databases,the targets of respiratory tract infection are screened by Genecards and OMIM databases,and the protein-protein interaction network of Bao’erning granules,respiratory tract infection and apoptosis is constructed by STRING database.The gene ontology function and the Kyoto Encyclopedia of Genes and Genomes pathway enrichment are analyzed using the DAVID database,and molecular docking technology is applied to the molecular docking of main active ingredients and core targets.Results:There are 58 active components in Bao’erning and 122 intersecting targets of Bao’erning granule-respiratory infection-apoptosis are obtained.Conclusion:The treatment of respiratory tract infection by Bao’erning granule may be related to the mechanism of anti-inflammatory,antioxidant and apoptosis inhibition.It mainly involves multi-component(quercetin,calycoisoflavone,kaempferol,stigmasterol,andβ-sitosterol),multi-target(CASP3,BAX,TNF,IL6,and IL1β)core targets,multiple pathways(TNF signaling pathway,PI3K-Akt signaling pathway,IL-17 signaling pathway,HIF-1 signaling pathway,and apoptosis signaling pathway).

关 键 词：保儿宁颗粒 呼吸道感染 网络药理学 凋亡 

分 类 号：R286.0[医药卫生—中药学]