通过网络药理学与分子对接探究金银花对鸡禽流感的潜在作用机制.基于中药系统药理学数据库与分析平台(TCMSP)获取金银花的活性成分和相应靶点,通过GeneCard、OMIM和TTD数据库对疾病的靶点进行检索整合,然后利用STRING数据库对金银花和鸡禽流感的交集靶点进行分析,建立PPI网络图.在Cytoscape 10.1.1软件中筛选出PPI网络中的核心靶点,在DAVID数据库中对这些靶点进行GO功能注释及KEGG通路富集分析.结果显示,筛选出金银花的主要活性成分有β-胡萝卜素、木犀草素、槲皮素、山柰酚等,与疾病的共同靶点有33个,PPI网络显示核心靶点为B淋巴细胞瘤-2基因(BCL-2)、白蛋白(ALB)、MYC转录因子(MYC)、胱天蛋白酶3(CASP-3)、白细胞介素-6(IL-6)和转化生长因子-β1(TGF-β1)等.GO功能注释分析得到生物学过程条目28条、细胞组分条目3条、分子功能条目6条(P<0.05).KEGG通路富集分析共获得与鸡禽流感相关的信号通路15条(P<0.05).分子对接结果显示木犀草素和BCL-2、ALB以及β-胡萝卜素和IL-6均表现出良好的结合力.结果表明,金银花的主要活性成分β-胡萝卜素、木犀草素、槲皮素、山柰酚可能通过BCL-2、ALB、MYC、CASP-3、IL-6和TGF-β1等核心靶点以及与之相关的TLRs信号通路、MAPK信号通路、CLRs信号通路、FoxO信号通路等在预防鸡禽流感中发挥重要作用.
To explore the potential action mechanism of Flos Lonicerae in avian influenza in chickens through network pharmacology and molecular docking.The active ingredients and corresponding targets of Flos Lonicerae were obtained based on the Traditional Chinese Medicine Systematic Pharmacology Database and Analysis Platform(TCMSP),and then the targets of the diseases were searched and integrated by GeneCard,OMIM and TTD databases,and the intersecting targets of Flos Lonicerae and chicken avian influenza were analyzed using the STRING database,and the PPI network diagram was established.Core targets in the PPI network were screened in Cytoscape 10.1.1 software,and these targets were analyzed for GO function annotation and KEGG pathway enrichment in the DAVID database.The results showed that the main active components of Flos Lonicerae were screened as beta-carotene,luteolin,quercetin,and kaempferol,and there were 33 common targets with the disease,and the PPI network showed that the core targets were B lymphoblastoma-2 gene(BCL-2),albumin(ALB),MYC transcription factor(MYC),cystatinase 3(CASP-3),interleukin-6(IL-6)and transforming growth factor β1(TGF-β1),among others.GO functional annotation analysis resulted in 28 entries for biological processes,3 entries for cellular components,and 6 entries for molecular functions(P<0.05).KEGG pathway enrichment analysis yielded a total of 15 signaling pathways associated with avian influenza in chickens(P<0.05).The results of molecular docking showed that luteolin and BCL-2,ALB as well as beta-carotene and IL-6 exhibited good binding.The results indicated that the main active components of Flos Lonicerae,beta-carotene,luteolin,quercetin,and kaempferol,might play a role through the core targets of BCL-2,ALB,MYC,CASP-3,IL-6,and TGF-β1,as well as the related TLRs signaling pathway,MAPK signaling pathway,CLRs signaling pathway,and FoxO signaling pathway,playing an important role in the prevention of avian influenza in chickens.
肖明月;侯永威;高雲;韦春波
黑龙江八一农垦大学动物科技学院,黑龙江大庆 163316华南农业大学兽医学院,广东广州 510642黑龙江八一农垦大学动物科技学院,黑龙江大庆 163316||黑龙江八一农垦大学动物科技学院 农业农村部东北平原农业绿色低碳重点实验室,黑龙江大庆 163316
畜牧业
金银花;禽流感;网络药理学;分子对接;木犀草素;作用机制
Flos Lonicerae;avian influenza;network pharmacology;molecular docking;luteolin;action mechanism
《中兽医医药杂志》 2024 (004)
48-53,封2 / 7
黑龙江八一农垦大学大学生创新创业训练项目(XC2023008)
10.13823/j.cnki.jtcvm.2024.045
评论