摘要
目的 本文主要运用随机行走和网络药理学研究养阴润喉方对治疗干燥综合征免疫炎症的分子机制。方法 挑选患者共120例,分为观察组(养阴润喉方加基础西药治疗)和对照组(基础西药治疗),每组60例。通过Apriori关联规则和随机行走模型来评价养阴润喉方对免疫炎症指标的影响。选用TCMSP、GeneCards、DisGeNET、OMIM、DrugBank、TTD和BATMAN-TCM数据库中收集相关靶点,通过Venny 2.1.0在线软件筛选出共有靶点。通过STRING数据库、DAVID数据库、Cytoscape 3.9.1软件、R studio软件进行分析,用Pymol 2.3.0软件和AutoDock Vina软件进行分子对接验证。结果 本次研究发现使用养阴润喉方对于免疫炎症指标血沉(ESR)、超敏C反应蛋白(hs-CRP)、免疫球蛋白G(IgG)、免疫球蛋白A(IgA)、免疫球蛋白M(IgM)有较好的下调作用,共筛选出养阴润喉方治疗干燥综合征的作用靶点126个,从中选出6个核心靶点;组方中药中有52个主要活性成分,从中选取5个关键活性成分。GO富集分析筛出886个功能基因产物,KEGG筛出164个信号通路,主要有磷酸酰肌醇3激酶/蛋白激酶B(PI3K-AKT)、Toll样受体、肿瘤坏死因子(TNF)、白介素-17(IL-17)、缺氧诱导因子-1(HIF-1)等信号通路。结论 分子对接结果说明甘草次酸、薯蓣皂苷元等重要活性成分与TNF、AKT1、白介素-1β(IL-1β)和肿瘤蛋白53(TP53)等核心靶点有较好的结合活性。ELISA检测结果说明使用养阴润喉方治疗后,治疗组TNF-α、AKT1、IL-1β和TP53浓度较对照组明显降低。
Objective To investigate the molecular mechanism of Yangyin Runhou Formula compatibility in the treatment of immune-inflammatory responses in Sjogren syndrome by using random walk and network pharmacology approaches.Methods A total of 120 patients were selected and divided into an observation group(Yangyin Runhou Fang plus basic western medicine treatment)and a control group(basic western medicine treatment),with 60 cases in each group.Through the Apriori association rules and random walk model to evaluate the effect of Yangyin Runhou Formula on immune inflammatory indexes.The relevant targets were collected from TCMSP,GeneCards,DisGeNET,OMIM,DrugBank,TTD and BATMAN-TCM databases,and the common targets were screened by Venny 2.1.0 online software.STRING database,DAVID database,Cytoscape 3.9.1 software and R studio software were used for analyzing,and Pymol 2.3.0 software and AutoDock Vina software were used for molecular docking verification.Results The study showed that the use of Yangyin Runhou Formula had a good effect on the decrease of immune inflammation indexes ESR,hs-CRP,IgG,IgA and IgM.A total of 126 targets of Yangyin Runhou Formula in the treatment of Sjogren syndrome were screened out,and 6 core targets were selected.There were 52 main active ingredients in these six traditional Chinese herbs,among which five key active ingredients were selected.GO enrichment analysis screened 886 functional gene products,and KEGG screened 164 signaling pathways,mainly including PI3K-AKT,Toll-like receptor,TNF,IL-17 and HIF-1 signaling pathways.Conclusion Molecular docking results showed that important active ingredients such as glycyrrhetinic acid and diosgenin had good binding activity with core targets such as TNF,AKT1,IL-1βand TP53.The results of ELISA showed that TNF-α,AKT1,IL-1βand TP53 in the treatment group were significantly lower than those in the control group.
作者
程静
万磊
朱子衡
李舒
马熙檬
李方泽
胡赛赛
陈莹莹
CHENG Jing;WAN Lei;ZHU Ziheng;LI Shu;MA Ximeng;LI Fangze;HU Saisai;CHEN Yingying(Anhui University of Traditional Chinese Medicine,Hefei 230031,Anhui,China;Department of Rheumatology,The First Affiliated Hospital of Anhui University of Traditional Chinese Medicine,Hefei 230031,Anhui,China)
出处
《贵州中医药大学学报》
2025年第3期90-97,共8页
Journal of Guizhou University of Traditional Chinese Medicine
基金
国家自然科学基金面上项目(81973655、82274501)
国家中医药管理局项目(国中医药人教函[2022]76)
安徽省自然科学基金项目(2308085MH291)。
关键词
养阴润喉方
干燥综合征
随机行走
网络药理学
作用机制
靶点
Yangyin Runhou Formula
Sjogren syndrome
random walking
network pharmacology
mecha-nism of action
target
