Yin Huihui, Liu Wei, Ji Xiaoyu, Yan Guoqing, Zeng Xueyan, Zhao Wu, Wang Yanhua
Guangxi Key Laboratory of Veterinary Biotechnology, Key Laboratory of China (Guangxi)-ASEAN Cross-Border Animal Disease Prevention and Control, Ministry of Agriculture and Rural Affairs of China, Guangxi Veterinary Research Institute, Nanning, China.
Brain Function and Disease Laboratory, Shantou University Medical College, Shantou, Guangdong, China.
Front Vet Sci. 2023 Feb 28;10:1138684. doi: 10.3389/fvets.2023.1138684. eCollection 2023.
Wumei San (WMS) is a traditional Chinese medicine that has been widely applied in the treatment of piglet diarrhea (PD). However, the mechanism of WMS in PD has not been investigated. In this study, the main active compounds of WMS and the target proteins were obtained from the Traditional Chinese Medicine Systematic Pharmacology, PubChem, and SwissTargetPrediction databases. The molecular targets of PD were identified using GeneCards, OMIM, and NCBI databases. The common targets of WMS and PD were screened out and converted into UniProt gene symbols. PD-related target genes were constructed into a protein-protein interaction network, which was further analyzed by the STRING online database. Gene Ontology and the Kyoto Encyclopedia of Genes and Genomes enrichment analyses were performed to construct the component-target gene-disease network. Molecular docking was then used to examine the relationship between the core compounds and proteins. As a result, a total of 32 active compounds and 638 target genes of WMS were identified, and a WMS-compound-target network was successfully constructed. Through network pharmacology analysis, 14 core compounds in WMS that showed an effect on PD were identified. The targets revealed by GO and KEGG enrichment analysis were associated with the AGE-RAGE signaling pathway, PI3K-Akt signaling pathway, TNF signaling pathway, NOD-like receptor signaling pathway, IL-17 signaling pathway, and other pathways and physiological processes. Molecular docking analysis revealed that the active compounds in WMS spontaneously bind to their targets. The results indicated that WMS may regulate the local immune response and inflammatory factors mainly through the TNF signaling pathway, IL-17 signaling pathway, and other pathways. WMS is a promising treatment strategy for PD. This study provides new insights into the potential mechanism of WMS in PD.
乌梅散（WMS）是一种已广泛应用于治疗仔猪腹泻（PD）的中药。然而，WMS治疗PD的机制尚未得到研究。在本研究中，WMS的主要活性成分和靶蛋白从中药系统药理学、PubChem和SwissTargetPrediction数据库中获取。使用GeneCards、OMIM和NCBI数据库鉴定PD的分子靶点。筛选出WMS和PD的共同靶点并转化为UniProt基因符号。将与PD相关的靶基因构建成蛋白质-蛋白质相互作用网络，并通过STRING在线数据库进一步分析。进行基因本体论和京都基因与基因组百科全书富集分析以构建成分-靶基因-疾病网络。然后使用分子对接来研究核心化合物与蛋白质之间的关系。结果，共鉴定出WMS的32种活性成分和638个靶基因，并成功构建了WMS-化合物-靶标网络。通过网络药理学分析，鉴定出WMS中对PD有作用的14种核心化合物。GO和KEGG富集分析揭示的靶点与AGE-RAGE信号通路、PI3K-Akt信号通路、TNF信号通路、NOD样受体信号通路、IL-17信号通路以及其他通路和生理过程相关。分子对接分析表明，WMS中的活性化合物能自发地与其靶点结合。结果表明，WMS可能主要通过TNF信号通路、IL-17信号通路和其他通路调节局部免疫反应和炎症因子。WMS是一种有前景的PD治疗策略。本研究为WMS治疗PD的潜在机制提供了新的见解。
