摘要
本研究基于网络药理学及分子对接技术探究苦参的主要抑菌药效成分及其作用机理,为开发其为新型饲料添加剂提供理论基础。通过中药系统药理数据库与分析平台(TCMSP)预测苦参药效成分和靶点,并利用疾病数据库筛选抑菌靶点。利用Venny网站获取苦参药效靶点和抑菌靶点交集的靶点和韦恩图。利用STRING网站进行关键靶点蛋白相互作用(PPI)分析。基因本体(GO)功能和京都基因与基因组百科全书(KEGG)富集分析通过DAVID数据库在线分析。通过分子对接方法来确认关键药效成分与关键抑菌靶点之间的亲和力,并将对接结果作图。结果表明:经过一系列分析后,得到的苦参的药效成分、药物靶点、抑菌靶点、苦参和抑菌共同靶点分别是24、197、907、75个。PPI分析发现,丝氨酸/苏氨酸蛋白激酶1(AKT1)、白细胞介素-6(IL-6)、肿瘤坏死因子(TNF)、白细胞介素-1β(IL-1β)、肿瘤蛋白P53(TP53)等32个蛋白可能是苦参抑菌作用的关键靶点。通过GO功能和KEGG富集分析,获得616个条目和156条通路。分子对接结果显示,度值排名前5位的活性成分(槲皮素、木犀草素、刺芒柄花素、8-异戊烯基山奈酚、菜豆素)和AKT1、TNF、TP53有较好的亲和力,AKT1、TNF、TP53可能是苦参发挥抑菌作用的主要靶点。通过分析得出,苦参主要通过槲皮素、木犀草素、刺芒柄花素等主要药效成分作用于AKT1、TNF、TP53等靶点,通过白细胞介素-17(IL-17)、TNF、C型凝集素受体等信号通路发挥抑菌作用,该研究结果表明了苦参通过多成分、多靶点、多通路实现抑菌作用。
Based on network pharmacology and molecular docking technology,the main antibacterial active in-gredients and pathways of Sophorae flavescentis Radix were explored to provide a theoretical basis for develo-ping as a new feed additive.The active ingredients of Sophorae flavescentis Radix and their related potential tar-gets were screened out by the TCMSP.The antibacterial related targets were obtained from the OMIM and Gen-eCards databases.The intersection of Sophorae flavescentis Radix and antibacterial targets were obtained through the Venny platform,and the intersection targets were imported into the STRING online analysis plat-form to construct a protein-protein interaction(PPI)network map and core target analysis.GO functional en-richment and KEGG pathway enrichment analysis were performed through the DAVID database.The affinity between key medicinal ingredients and key antibacterial targets was confirmed by molecular docking method,and the docking results were plotted.There were 24 medicinal ingredients of Sophorae flavescentis Radix,197 drug targets,907 antibacterial targets,and 75 intersection targets of the drugs and antibacterial effects were ob-tained.The protein interaction network analysis showed that 32 proteins including serine/threonine protein ki-nase(AKT1),interleukin-6(IL-6),tumor necrosis factor(TNF),interleukin-1β(IL-1β),tumor protein P53(TP53)may be the key targets of the antibacterial effect of Sophorae flavescentis Radix.The GO function enrichment analysis of the key antibacterial targets of Sophorae flavescentis Radix yielded 616 entries,and the KEGG pathway enrichment analysis yielded 156 pathways.Molecular docking results showed that the top 5 ac-tive ingredients(quercetin,luteolin,formononetin,8-isopentenyl-kaempferol,phaseolin)had good affinity with AKT1,TNF,TP53,and AKT1,TNF,TP53 may be the main targets of antibacterial effect of Sophorae flavescentis Radix.The main medicinal ingredients of Sophorae flavescentis Radix quercetin,luteolin,and for-mononetin acted on AKT1,TNF,TP53 and o
作者
吴雅琳
曹志刚
孙盼盼
张华
尹伟
范阔海
孙耀贵
李宏全
孙娜
WU Yalin;CAO Zhigang;SUN Panpan;ZHANG Hua;YIN Wei;FAN Kuohai;SUN Yaogui;LI Hongquan;SUN Na(Shanxi Key Laboratory of Chinese Veterinary Medicine Modernization,Collage of Veterinary Medicine,Shanxi Agricultural University,Taigu 030801,China;Laboratory Animal Center,Shanxi Agricultural University,Taigu 030801,China)
出处
《动物营养学报》
CAS
CSCD
北大核心
2023年第9期6055-6071,共17页
CHINESE JOURNAL OF ANIMAL NUTRITION
基金
国家自然科学基金项目(32172904)
山西省重点研发计划项目(202102140601019)
山西省现代农业产业技术体系建设专项
山西省科技创新人才团队专项(202204051001021)
“特”“优”农业高质量发展科技支撑工程项目(TYGC23⁃24)
山西省高等学校科技创新项目(2021L108)。
关键词
苦参
网络药理学
抑菌活性
饲料添加剂
Sophorae flavescentis Radix
network pharmacology
antibacterial activity
feed additives
