摘要
构建金英黄归汤干预乳腺炎的"中药-活性成分-靶点-炎症通路"网络关系,预测其治疗乳腺炎的靶点及机制。采用网络药理学方法,通过数据库收集金英黄归汤中化合物,以口服利用度(OB)和类药性(DL)作为限定条件筛选活性成分,收集其作用靶点,并应用Cytoscape软件拓补分析主要靶点,利用GeneCards等数据库获取乳腺炎疾病靶点,应用韦恩分析获取活性成分治疗乳腺炎的交集靶点;STRING数据库构建交集靶点之间的交互网络,利用DAVID数据库对作用的乳腺炎靶点进行GO和KEGG通路富集,最后构建"活性成分-靶点-炎症通路-疾病"网络。金英黄归汤中满足筛选条件的活性成分有62个,相对应的预测靶点有229个,主要靶点144个,乳腺炎疾病靶点有139个,金英黄归汤活性成分作用乳腺炎的靶点有23个,其通过调控Toll样受体(TLR)、TNF、NF-κB以及NOD样受体(NLRs)信号通路来治疗乳腺炎。金英黄归汤针对乳腺炎的药理作用是通过多成分、多靶点、多途径进行,这将为深入研究药效物质基础和作用机制提供理论指导。
Network pharmacology method was used to construct a network of "Traditional Chinese Medicine-Active Ingredients-Targets-Inflammatory Pathway" for JinyingHuanggui Decoction to interfere with mastitis, and to predict its targets and mechanisms in the treatment of mastitis.We collected compounds in JinyingHuanggui Decoction in the database, screened the active ingredients with oralavailability(OB) and drug-like properties(DL) as limited conditions, collected their targets, and used Cytoscape software to top up and analyzed the main targets.GeneCards and other databases were used to obtain mastitis disease targets.Wayne analysis was used to obtain the intersection targets of active ingredients for the treatment of mastitis.We used STRING database to construct an interactive network between the intersection targets, used DAVID database to perform GO and KEGG on the active mastitis targets enrichment of pathways, and finally built a network of "active ingredients-targets-inflammatory pathways-disease".There are 62 active ingredients in JinyingHuanggui Decoction that meet the screening conditions, 229 corresponding prediction targets, 144 main targets, 139 mastitis disease targets, and JinyingHuanggui Decoction active ingredients.There are 23 targets for mastitis, which can treat mastitis by regulating Toll-like receptor(TLR),TNF,NF-κB and NOD-like receptors(NLRs) signaling pathways.The pharmacological action of JinyingHuanggui Decoction against mastitis was carried out through multiple components, multiple targets, and multiple pathways, which provided theoretical guidance for in-depth research on the material basis and action mechanism.
作者
彭俊超
杨会
何绪华
蔡亚玲
廖加美
龙利
王鲁
PENG Jun-chao;YANG Hui;HE Xu-hua;CAI Ya-ling;LIAO Jia-mei;LONG Li;WANG Lu(School of Pharmacy,Guizhou University,Guiyang 550025,China;Engineering Research Center of the Ministry of Education for the Development and Utilization of Southwestern Featured Medicinal Biological Resources,Guizhou University,Guiyang 550025,China)
出处
《化学试剂》
CAS
北大核心
2021年第7期878-883,共6页
Chemical Reagents
基金
国家自然科学基金项目(31760747)。
关键词
金英黄归汤
网络药理学
活性成分
靶点
乳腺炎
JinyingHuanggui Decoction
network pharmacology
active ingredient
target
mastitis
