摘要
目的:通过网络药理学和实验验证,明确肠安Ⅱ号方中白芍-白术(PRA-AMR)药对治疗肠易激综合征(IBS)的活性成分,并探讨其关键作用机制。方法:从TCMSP数据库中获取PRA-AMR的活性成分和潜在靶点。IBS的治疗靶点来源于PharmGkb、OMIM、GeneCards、DrugBank及TTD数据库。借助STRING数据库构建PPI网络。应用GO及KEGG数据库进行富集分析。运用OpenBabel 3.1.1及AutoDock 4.2.6软件和pubchem数据库完成分子对接。建立HCoEpiC细胞炎症损伤模型验证肠安Ⅱ号方中PRA-AMR药对的关键作用机制。结果:PRA-AMR药对中共筛选出20种活性成分,鉴定出63个潜在靶点参与IBS治疗,涉及1 293个生物学过程和134条信号通路。利用分子对接预测出7种活性组分与8个核心靶标存在较好结合。在体外,PRA-AMR核心成分芍药苷与3β-乙酰氧基苍术酮联用较单一给予芍药苷可以显著降低LPS诱导的HCoEpiC细胞炎症损伤模型IL-6的表达进而更大程度减轻结肠炎症。结论:肠安Ⅱ号方中PRA-AMR药对可能通过抑制炎症因子IL-6的表达有效改善结肠炎症,缓解IBS的临床症状。
Objective:To clarify the active components of paeoniae radix alba-atractylodis macrocephalae rhizome(PRA-AMR)in Chang′anⅡdecoction for the treatment of irritable bowel syndrome(IBS),and investigate the key mechanism of action of this herbal prescription via network pharmacology and experimental verification.Methods:The active components and potential targets of the PRA-AMR were obtained from the TCMSP database.The therapeutic targets of IBS were retrieved from PharmGkb,OMIM,GeneCards,DrugBank and TTD databases.PPI networks were created by using STRING database,and enrichment analysis was performed based on GO and KEGG databases.Molecular docking was completed using software OpenBabel(version 3.1.1)and AutoDock (version 4.2.6).Finally,HCoEpiC cell inflammatory injury model was established to verify the key mechanism of action of the PRA-AMR in Chang′an Ⅱ decoction. Results: A total of 20 active ingredients were screened from the PRA-AMR,and 63 potential targets were identified to participate in the treatment of IBS,involving 1293 biological processes and 134 signaling pathways.Seven active components were predicted to bind well to eight core targets by molecular docking. In vitro ,the combination of paeoniflorin and 3β-acetoxy atractylodesone,the core components of PRA-AMR,can significantly reduce the expression of IL-6 in the LPS-induced HCoEpiC cell inflammatory injury model compared with single administration of paeoniflorin,thereby reducing colonic inflammation. Conclusion: PRA-AMR in Chang′an Ⅱ decoction may effectively improve colon inflammation and relieve the clinical symptoms of irritable bowel syndrome by inhibiting the expression of inflammatory factor IL-6.
作者
吴亚宁
周辉辉
田雅晴
袁佳楠
程堃铭
郑咏秋
WU Yaning;ZHOU Huihui;TIAN Yaqing;YUAN Jianan;CHENG Kunming;ZHENG Yongqiu(Department of Traditional Chinese Medicine,Wannan Medical College,Wuhu 241002,China)
出处
《皖南医学院学报》
CAS
2023年第2期120-126,共7页
Journal of Wannan Medical College
基金
安徽省高校协同创新项目(GXXT-2020-024)
皖南医学院博士科研启动经费(WYRCQD2018009)
皖南医学院横向课题(H202003)。
关键词
白芍
白术
网络药理学
肠易激综合征
作用机制
paeoniae radix alba
atractylodis macrocephalae rhizoma
network pharmacology
irritable bowel syndrome
mechanism
