【摘要】 本研究旨在采取网络药理学与分子对接技术探究辣木叶水溶性活性成分治疗肠炎的作用机制。通过文献检索搜集辣木叶水溶性活性成分，在PubChem数据库获取化学结构，通过Swiss Target Prediction数据库预测潜在靶点，同时检索GeneCards数据库获取辣木叶活性成分与肠炎重合靶点；随后将上述重合靶点导入STRING数据库构建蛋白质互作（PPI）网络，通过Cytoscape软件CytoNCA插件筛选核心靶点，随后经DAVID数据库对筛选的核心靶点进行基因本体（GO）功能富集分析和京都基因与基因组百科全书（KEGG）信号通路富集分析，并运用R语言clusterProfiler程序包分析关键通路富集靶点情况，最后经Autodock-Tools软件将核心靶点以及活性成分进行分子对接。结果表明：1）筛选出的辣木叶水溶性活性成分主要包括芥子酸、肉桂酸、山奈酚、槲皮素、柚皮素、辣木碱、niazimin A和原儿茶酸等31种，其对应的核心靶点有35个。2)PPI网络分析结果发现，SRC原癌基因非受体酪氨酸激酶（SRC）、表皮生长因子受体（EGFR）、基质金属蛋白酶9(MMP9)以及蛋白激酶B1(AKT1)、前列腺素内过氧化物合成酶2(PTGS2)和热休克蛋白90α家族A类成员1(HSP90AA1)等是辣木叶治疗肠炎的关键靶点。3)KEGG信号通路富集分析发现，筛选的核心靶点主要参与磷脂酰肌醇3-激酶（PI3K）-蛋白激酶B(AKT)、Toll样受体（TLR）、肿瘤坏死因子（TNF）、丝裂原活化蛋白激酶（MAPK）和NOD样受体等信号通路，并通过EGFR、MMP9、RELA原癌基因核因子-κB亚基（RELA）、SRC、AKT1、核因子-κB亚基1(NFKB1)、丝裂原活化蛋白激酶8(MAPK8)、Toll样受体4(TLR4)、HSP90AA1、信号转导与转录激活因子3(STAT3)、血管内皮生长因子A(VEGFA)和CREB结合蛋白（CREBBP）等起到治疗肠炎的作用。4）分子对接预测结果表明，芥子酸和niazimin A与关键靶点均能稳定结合。综上可知，辣木叶活性成分可通过相应的信号通路发挥抗炎、抗病毒作用，同时也可调节细胞分化、凋亡等生物过程，这为辣木叶在肠道性疾病中的进一步发展和应用提供了理论基础。更多还原

【Abstract】 The aim of this study was to explore the mechanism of water-soluble active components of Moringa oleifera leaves in treating enteritis by using network pharmacology and molecular docking technology. The water-soluble active components of Moringa oleifera leaves were collected through literature search,the chemical structure was obtained in PubChem database,the potential targets were predicted by Swiss Target Prediction database,and the overlapping targets of the active components of Moringa oleifera leaves and enteritis were obtained by GeneCards database. Subsequently,the above overlapping targets were imported into STRING database to construct protein-protein interaction(PPI)network,and core targets were screened by Cytoscape software CytoNCA plug-in. Then DAVID database was used to conduct gene ontology(GO)functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathway enrichment analysis for the selected core targets,and the R clusterProfiler package was used to analyze the enrichment targets in key pathways. Finally,the core targets and the active components were docked by Autodock-Tools software. The results showed as follows:1)a total of 31 water-soluble active components of Moringa oleifera leaves were selected,including sinapic acid,cinnamic acid,kaempferol,quercetin,naringin,moringa,niazimin A and protocatechuic acid,and there were 35 corresponding core targets. 2)PPI network analysis showed that SRC proto-oncogene,non-receptor tyrosine kinase(SRC),epidermal growth factor receptor(EGFR),matrix metalloproteinase 9(MMP9),protein kinase B1(AKT1),prostaglandin endoperoxide synthase 2(PTGS2)and heat shock protein 90 alpha family class A member 1(HSP90AA1)were the key targets of Moringa oleifera leaves in treating enteritis. 3)Enrichment analysis of KEGG signaling pathway showed that the selected core targets were mainly involved in phosphatidylinositol 3-kinase(PI3K)-protein kinase B(AKT),Toll-like receptor(TLR),tumor necrosis factor(TNF),mitogen-activated protein kinase(MAPK),NOD-like receptor and other signaling pathways,and EGFR,MMP9,RELA proto-oncogene nuclear factor-κB subunit(RELA),SRC,AKT1,nuclear factor-κB subunit 1(NFKB1),mitogen-activated protein kinase 8(MAPK8),Toll-like receptor 4(TLR4),HSP90AA1,signal transducer and activator of transcription 3(STAT3),vascular endothelial growth factor A(VEGFA)and CREB binding protein(CREBBP)had been used to treat enteritis. 4)Molecular docking prediction results showed that sinapic acid and niazimin A could stably bind to key targets. In conclusion,the active components of Moringa oleifera leaves can play anti-inflammatory and antiviral effects through corresponding signaling pathways,and can also regulate biological processes such as cell differentiation and apoptosis,which provides a theoretical basis for the further development and application of Moringa oleifera leaves in intestinal diseases.[Chinese Journal of Animal Nutrition,2023,35(12):8053-8073]更多还原