关键词: 归芪益母口服液; 母猪气虚血瘀证; 网络药理学; 作用机制; 分子对接

Abstract: 【Objective】 This study was aimed to explore the effective active ingredients and the molecular mechanism of Gui Qi Yimu oral liquid in the treatment of Sus scrofa Qi and blood two deficiency syndrome using network pharmacology and molecular docking technology.【Method】 The main active ingredients and targets of Gui Qi Yimu oral liquid were obtained from the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform (TCMSP) and Traditional Chinese Medicine Integrated Database (TCMID),and the targets of Sus scrofa Qi and blood two deficiency syndrome were acquired from GeneCards,OMIM and Malacards databases.The drug-ingredient-target network was constructed by using Cytoscape 3.9.0 software,and the interaction relationship between target proteins was constructed by using the STRING database and Cytoscape 3.9.0 software. DAVID database was used to analyze the Go function and KEGG signal pathway enrichment of co-acting targets.The core ingredients and targets were docked by Autodock Tools1.5.7 software.【Result】 The main active ingredients of Gui Qi Yimu oral liquid included quercetin,kaempferol and isorhamnetin.It corresponded to 76 key targets,6 335 disease targets and 41 intersection targets.Tumor necrosis factor (TNF),IL6 and IL10 were shown as key targets in PPI network. A total of 12 items were selected by GO functional enrichment analysis, among which 7 items were biological processes, including immune response, positive regulation of STAT protein tyrosine phosphorylation, response to glucocorticoid, etc. 2 items were cell component, including extracellular component and extracellular void. 3 items were molecular function, including cytokine, growth factor activity, and IL2 receptor binding. KEGG signaling pathway enrichment analysis showed that Guiqi Yimu oral liquid played its role mainly through cytokine receptor interaction, JAK-STAT signaling pathway and PI3K-Akt signaling pathway. The molecular docking results showed that the binding energies of quercetin,kaempferol,isorhamnetin and other core ingredients with key targets of Sus scrofa Qi and blood two deficiency syndrome were all less than 0 kJ/mol.【Conclusion】 Gui Qi Yimu oral liquid might act on the targets of RPN1,RNASE1 and RNH1 through the main active ingredients,such as quercetin,kaempferol and isorhamnetin.The treatment of pigs with Sus scrofa Qi and blood two deficiency syndrome was carried out by participating in cytokine receptor interactions,JAK-STAT signaling pathway,PI3K-Akt signaling pathway and other pathways.

Key words: Gui Qi Yimu oral liquid; Sus scrofa Qi and blood two deficiency syndrome; network pharmacology; mechanism; molecular docking