基于网络药理学探讨大承气汤治疗急性胰腺炎的物质基础和分子机制  

Material basis and molecular mechanism of Dachengqi Decoction in treatment of acute pancreatitis based on network pharmacology

作　　者：杨景喻 王锐[2] 金涛[1] 李兰[1] 王怡钦 夏庆[1] 杜丹[2] YANG Jing-yu;WANG Rui;JIN Tao;LI Lan;WANG Yi-qin;XIA Qing;DU Dan(Department of Integrated Traditional Chinese Medicine&Western Medicine,West China Hospital of Sichuan University,Chengdu 610041,China;West China-Washington Mitochondria and Metabolism Centre,West China School of Medicine/West China Hospital of Sichuan University,Chengdu 610041,China)

机构地区：[1]四川大学华西医院中西医结合科,四川成都610041 [2]四川大学华西医院华西-华盛顿线粒体与代谢研究中心,四川成都610041

出　　处：《中国中药杂志》2020年第6期1423-1432,共10页China Journal of Chinese Materia Medica

基　　金：国家重点研发计划项目(2016YFE0101800);四川省中医药管理局-自由申请项目(2018JC020)。

摘　　要：采用网络药理学方法预测大承气汤治疗急性胰腺炎的物质基础和分子机制。通过数据库检索并预测大承气汤化合物的作用靶点及急性胰腺炎的疾病基因;并对关键靶点和相关活性化学成分进行分子对接验证;利用DAVID"富集分析"得到大承气汤的活性成分在治疗急性胰腺炎过程中所涉及的功能及通路,最终构建"中药材-活性化学成分-靶点-通路"综合网络。在大承气汤中发现了108种活性化学成分可与28个疾病靶点相关联,分子对接结果显示关键靶点与其对应化合物均有较强的结合能力。经DAVID富集分析得到,生物学过程438条,分子功能31条,细胞组成17条,KEGG通路富集96条。大承气汤可能通过药物反应、脂多糖反应和反向调节凋亡等生物过程,抗炎、抗氧化活性、反向调节细胞凋亡以及调节胰腺分泌等方式来实现其药效作用,涉及IL-17,TNF,NF-κB等多条信号通路。该研究运用网络药理学的方法,揭示了大承气汤以多种成分协同作用于多靶点、多信号通路治疗急性胰腺炎的分子机制,为生物实验提供理论基础。The network pharmacology was used to investigate the material basis and molecular mechanism of Dachengqi Decoction(DCQD) in the treatment of acute pancreatitis(AP). Potential targets of components from DCQD and relevant pathogenic genes of AP were identified through database retrieval. Then, crucial targets were verified with relevant active chemical components via molecular docking. DAVID database was used to explore the functions and pathways involved in the treatment of AP. A total of 108 components were correlated with 28 targets. Molecular docking showed a strong binding ability of key targets and their corresponding compounds. DAVID enrichment analysis showed 438 biological process, 31 molecular functions, 17 cellular components and 96 KEGG pathways. DCQD may achieve its pharmacological effects through anti-inflammatory and anti-oxidative effects, negative regulation of apoptosis and regulation of pancreatic secretion, involving multiple signals, such as IL-17, TNF and NF-κB signaling pathway. In this study, it is the first time to use the method of network pharmacology to reveal the molecular mechanism of DCQD in the treatment of AP by multiple components and multi-signaling pathways, which provides a basis for further biological experiments of AP.

关 键 词：大承气汤 急性胰腺炎 网络药理学 分子机制 

分 类 号：R285[医药卫生—中药学]