畜牧与兽医2024，Vol.56Issue(6)：63-71,9.
基于数据挖掘、网络药理和分子对接分析中药组方专利治疗奶牛乳房炎的作用机制
Analysis of the mechanism of the national patented traditional Chinese herbal compounds for the treatment of dairy cow mastitis based on data mining,network pharmacology and molecular docking
摘要
Abstract
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.关键词
乳房炎/网络药理/分子对接/中药/专利Key words
mastitis/network pharmacology/molecular docking/traditional Chinese medicine/patents分类
农业科技引用本文复制引用
吴德胜,王伟然,丁金雪,胡梦馨,孟晋武,王文佳,刘家国..基于数据挖掘、网络药理和分子对接分析中药组方专利治疗奶牛乳房炎的作用机制[J].畜牧与兽医,2024,56(6):63-71,9.基金项目
国家重点研发计划(2022YFD1801102) （2022YFD1801102）
