基于网络药理学探讨补肾清热育阴方治疗原发性干燥综合征的分子机制  

Exploration on the molecular mechanism of Bushen Qingre Yuyin Formula for primary Sjogren's syndrome based on network pharmacology

作　　者：李多多[1] 苑艺 刘长信[1] 孔维萍[2] 王锡友[1] 徐愿[2] 王琬茹 白雯 阎小萍[2] LI Duoduo;YUAN Yi;LIU Changxin;KONG Weiping;WANG Xiyou;XU Yuan;WANG Wanru;BAI Wen;YAN Xiaoping(Department of Tuina and Pain Management,Dongzhimen Hospital,Beijing University of Chinese Medicine,Beijing 100700,China;Department of Traditional Chinese Medicine for Rheumatology,China-Japan Friendship Hospital,Beijing 100029,China;Aviation General Hospital,Beijing 100012,China;Beijing Fengtai Hospital of Integrated Traditional and Western Medicine,Beijing 100072,China)

机构地区：[1]北京中医药大学东直门医院推拿疼痛科,北京100700 [2]中日友好医院中医风湿病科,北京100029 [3]航空总医院,北京100012 [4]北京市丰台中西医结合医院,北京100072

出　　处：《中华中医药杂志》2023年第10期4941-4947,共7页China Journal of Traditional Chinese Medicine and Pharmacy

基　　金：阎小萍全国名老中医药专家传承工作室北京中医药大学东直门医院工作站。

摘　　要：目的:基于网络药理学的方法对补肾清热育阴方治疗原发性干燥综合征(p S S)的分子机制进行探讨。方法:检索T C M S P数据库获取相关化学成分及基因,未涉及的中药及无靶点基因信息的化合物,使用Pubchem数据库获取相关化合物的分子式,使用SwissADME数据库筛选,符合条件的化学物使用SwissTargetPrediction数据库进行靶标预测,使用Uniprot数据库规范基因名称。检索GenCards、OMIM及DrugBank数据库获取疾病基因信息,并将其与药物靶点映射。将共有基因导入String数据库获取PPI网络,导入Metascape数据库进行富集分析。使用Cytoscape 3.6.0绘制“药物-化学成分-靶标”网络图。使用NetworkAnalyzer工具对主要成分及靶点进行网络拓扑学分析。结果:筛选获得槲皮素、β-谷甾醇及豆甾醇等10个主要成分,PTGS2及PTGS1等10个主要靶点;KEGG通路富集分析结果显示,补肾清热育阴方可能是通过AGE-RAGE信号通路、细胞凋亡、NF-κB信号通路、MAPK信号通路及JAK-STAT信号通路等多个生物过程对pSS患者起到治疗作用。结论:补肾清热育阴方可能通过相关化合物、基因及通路对pSS患者的炎症反应、外分泌腺体损伤、唾液腺分泌不足、细胞凋亡、免疫抑制及凝血起到调控作用。Objective:To investigate the molecular mechanism of Bushen Qingre Yuyin Formula for primary Sjogren's syndrome(pSS)based on the approach of network pharmacology.Methods:The TCMSP database was searched to obtain the chemical composition and target genes of the grouped herbal medicines,and for the uninvolved herbal medicines and compounds without target gene information,the molecular formulae of the relevant compounds were obtained using the Pubchem database,screened using the SwissADME database,and the eligible chemicals were used for target prediction using the SwissTargetPrediction database,using the Uniprot database to normalize gene names.The GenCards,OMIM and DrugBank databases were searched to obtain disease gene information and mapped to drug targets.The shared genes were imported into String database to obtain PPI network,and imported into Metascape database for enrichment analysis.We used Cytoscape 3.6.0 was used to map the'drug-chemical component-target'network.NetworkAnalyzer tool was used to analyze the network topology of the main components and targets.Results:Ten major components such as quercetin,β-sitosterol and dousterol,10 major targets such as PTGS2 and PTGS1 were obtained;the results of KEGG pathway enrichment analysis showed that Bushen Qingre Yuyin Formula may be used through AGE-RAGE signaling pathway,apoptosis,NF-kB signaling pathway,MAPK signaling pathway and JAK-STAT signaling pathway.Multiple biological processes played a therapeutic role in patients with pSS.Conclusion:Bushen Qingre Yuyin Formula may regulate the inflammatory response,exocrine gland damage,salivary gland hypersecretion,apoptosis,immunosuppression and coagulation in psS patients through related compounds,genes and pathways.

关 键 词：补肾清热育阴方 原发性干燥综合征 网络药理学 分子机制 通路 靶点基因 

分 类 号：R285[医药卫生—中药学]