中国畜牧兽医2023，Vol.50Issue(12)：5136-5147,12.DOI:10.16431/j.cnki.1671-7236.2023.12.035
基于网络药理学和分子对接技术探究苍术香连散治疗猪湿热泄泻的作用机制
Exploring the Action Mechanism of Cangzhuxiangliansan in the Treatment of Damp-heat Diarrhea in Swine Based on Network Pharmacology and Molecular Docking Techniques
摘要
Abstract
[Objective]This study was aimed to investigate the mechanism of action of Cangzhuxiangliansan in the treatment of damp-heat diarrhea in swine based on network pharmacology and molecular docking techniques.[Method]The active ingredients and related targets of Cangzhuxiangliansan were obtained through the Traditional Chinese Medicine Systematic Pharmacology Database(TCMSP)and literature collection.The related targets of damp-heat diarrhea in swine were obtained through GeneCards,OMIM and DisGeNET databases.The composition-target network of Cangzhuxiangliansan was mapped by Cytoscape 3.9.1 software.Protein-protein interaction(PPI)analysis of intersecting targets was carried out by STRING database,PPI network was constructed and topology analysis was performed by Cytoscape 3.9.1 software to obtain core targets.GO function and KEGG signaling pathway enrichment analysis were carried out by DAVID database.Molecular docking simulations of key active ingredients of drugs with core potential targets of action were performed using AutoDock Vina software.[Result]A total of 149 active ingredient targets,1 246 disease targets and 50 intersecting targets were obtained after screening.The results of the PPI network analysis showed that tumor necrosis factor(TNF),tumor antigen p53(TP53),interleukin-6(IL6),vascular endothelial growth factor A(VEGFA)and matrix metalloproteinase-9(MMP9)were the key targets for drug action in the disease.GO functional analysis showed that there were 129 entries in biological processe,7 entries in cell component,and 17 entries in molecular function.The results of KEGG enrichment analysis showed that the drug exerted its therapeutic effects mainly through affecting IL17 signaling pathway,Toll-like receptor signaling pathway and TNF signaling pathway.The molecular docking results showed that the binding energy of the core active ingredient to the key target protein of the disease was＜-5.0 kJ/mol.[Conclusion]Cangzhu xiangliansan might act on targets such as TNF,TP53,IL6 and VEGFA through components such as quercetin,wogonin,and R-tetrahydroberberine,affecting the main inflammatory signaling pathways such as TNF and IL17 in the treatment of damp-heat diarrhea in swine.关键词
苍术香连散/网络药理学/分子对接/湿热泄泻Key words
Cangzhuxiangliansan/network-based pharmacology/molecular docking/damp-heat diarrhea分类
畜牧业引用本文复制引用
胡宇豪,王登峰,苏进博,杨洋,熊宇明,曾企辉,王磊,殷光文,黄志坚,邓莉萍..基于网络药理学和分子对接技术探究苍术香连散治疗猪湿热泄泻的作用机制[J].中国畜牧兽医,2023,50(12):5136-5147,12.基金项目
福建省区域发展项目(2022N3009) （2022N3009）
福建省自然科学基金面上项目(2021J01084) （2021J01084）
