基于网络药理学和分子对接探讨郁金散加减方治疗猪传染性胃肠炎的作用机制

doi:10.16431/j.cnki.1671-7236.2024.02.037

Abstract

Abstract: 【Objective】 Based on network pharmacology and molecular docking technology, the target and the mechanism of modified Yujin San in the treatment of transmissible gastroenteritis(TGE) in pigs were studied.【Method】 The active ingredients and targets of modified Yujin San were searched by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and converted by UniProt platform.TGE related targets were searched in CTD database.The intersection targets of modified Yujin San and TGE were imported into Cytoscape 3.9.1 software to construct the modified Yujin San-component target-disease network diagram.Protein-protein interaction (PPI) network analysis was carried out in STRING database and Cytoscape 3.9.1 software.GO function and KEGG signaling pathway were analyzed in the DAVID database.Molecular docking was performed with AutoDock software.【Result】 A total of 126 active ingredients of modified Yujin San were collected, including quercetin and formononetin, and 74 related targets of modified Yujin San were obtained.The results of the network diagram of modified Yujin San-ingredient-target-disease showed that the core components of modified Yujin San for TGE were quercetin, kaempferol, etc.PPI results showed that the core targets of modified Yujin San were tumor suppressor gene P53 (TP53), tumor gene FOS, tumor necrosis factor (TNF), matrix metalloproteinase 9 (MMP9) and Caspase 3 (CASP3), etc.GO function and KEGG signaling pathway analysis results showed that the mechanism of modified Yujin San in the treatment of TGE involved immune response, anti-inflammatory and other processes, and regulated MAPK, IL17, TNF, TH-17 cell differentiation, anti-inflammatory bowel disease, NF-κB signaling pathways and so on.The molecular docking between the core components and the key receptor aminopeptidase N (APN) indicated that modified Yujin San had good binding ability with APN.【Conclusion】 Modified Yujin San mainly used core ingredients quercetin, 4'-methoxyglabridin, frmononetin and other core components to act on TP53, FOS, TNF, MMP9, CASP3 and other targets, and regulated signaling pathways such as MAPK, IL7, TNF, TH-17 cell differentiation, inflammatory bowel disease, and NF-κB to treat TGE.

Key words: network pharmacology; molecular docking; modified Yujin San; transmissible gastroenteritis of swine; mechanism

CLC Number:

S853.74

GUO Ziyan, SONG Yanping, NIAN Xia, SU Min. Mechanism of Modified Yujin San in Treatment of Transmissible Gastroenteritis of Swine Based on Network Pharmacology and Molecular Docking[J]. China Animal Husbandry and Veterinary Medicine, 2024, 51(2): 809-819.

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Mechanism of Modified Yujin San in Treatment of Transmissible Gastroenteritis of Swine Based on Network Pharmacology and Molecular Docking

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