摘要
旨在分析专利中复方中药治疗奶牛乳房炎的用药规律及作用机制。筛选并建立相关中药组方专利的数据库,进行频次、性味、归经、关联规则和高频药物聚类分析。通过在线数据库和相关文献获得核心药对活性成分和奶牛乳房炎的相关靶点。采用STRING数据库构建蛋白-蛋白互作信息网络,应用DAVID数据库进行基因本体(GO)功能和京都基因与基因组百科全书(KEGG)通路富集分析。将获得的核心药物和核心靶点进行分子对接验证。结果:共纳入178个专利组方,药性以寒、温为主,药味以苦、甘、辛为主,归经主入肝、肺、胃经,关联规则分析出14组药物组合,聚类分析将药物分为4类。核心药对蒲公英-紫花地丁和奶牛乳房炎共同靶点28个,主要富集于56条GO和72条KEGG信号通路。分子对接结果显示6个核心靶点与5种活性成分均具有结合的可能性。专利组方治疗奶牛乳房炎主要以清热解毒、益气活血调经、行气止痛等治法为主。核心药对可通过磷酸酯酶与张力蛋白同源物(PTEN)、V-rel网状内皮细胞病毒癌基因同源物A(RELA)、白细胞介素-6(IL-6)、白细胞介素-1β(IL-1β)、白细胞介素-2(IL-2)和γ干扰素(IFNG)等靶点调控白细胞介素-17(IL-17)、肿瘤坏死因子(TNF)、核因子κB(NF-κB)、PI3K-Akt和NOD样受体等信号通路,发挥抗炎、免疫调节等作用来防治奶牛乳房炎。
This study aimed to analyze the dosing pattern and mechanism of the national patented compounds of traditional Chinese medi⁃cines for the treatment of mastitis in dairy cows.A database of relevant TCM compound patents was screened and established.Then,analyses of the related parallel frequency,flavor,attribution,association rules and high-frequency drug clustering were performed.The relevant tar⁃gets of the core drugs on active components and cow mastitis were obtained with reference to the online database and related literature.Next,the STRING database was used to construct a PPI network,and the DAVID database was applied to GO function and KEGG pathway enrich⁃ment analysis.Finally,the obtained core drugs and core targets were validated by molecular docking.The results were that a total of 178 pa⁃tented compound prescriptions were included,with cold and warm medicinal properties,bitter,sweet and pungent medicinal flavours;which were attributed to the main meridians of the liver,lung and stomach.14 groups of drug combinations were analyzed by association rules,and clustering analysis was performed to classify the drugs into 4 categories.The core drug pairs of Taraxaci herba-Violae herba and cow mastitis shared 28 common targets,which were mainly enriched in the 56 GO and 72 KEGG signaling pathways.The molecular docking results showed that 6 core targets had binding potential to all five active ingredients.The patented compound treatment of mastitis in dairy cows was mainly based on the treatment of clearing heat and removing toxins,benefiting Qi,activating blood and regulating menstruation,and promo⁃ting Qi and relieving pain.The key pairs could regulate the signaling pathways,such as IL-17,cancer,TNF,NF-κB,PI3K-Akt and NOD-like receptors by means of the targets of PTEN,RELA,IL-6,IL-1β,IL-2 and IFNG,and play the roles of anti-inflammatory and immune regulation to prevent and control mastitis in dairy cows.
作者
吴德胜
王伟然
丁金雪
胡梦馨
孟晋武
王文佳
刘家国
WU Desheng;WANG Weiran;DING Jinxue;HU Mengxin;MENG Jinwu;WANG Wenjia;LIU Jiaguo(College of Veterinary Medicine,Nanjing Agricultural University,Nanjing 210095,China;College of Animal Science and Technology,Ningxia University,Yinchuan 750021,China)
出处
《畜牧与兽医》
CAS
北大核心
2024年第6期63-71,共9页
Animal Husbandry & Veterinary Medicine
基金
国家重点研发计划(2022YFD1801102)。
关键词
乳房炎
网络药理
分子对接
中药
专利
mastitis
network pharmacology
molecular docking
traditional Chinese medicine
patents
