基于网络药理学和分子对接分析柴胡抗氧化应激作用机制  

Network Pharmacology and Molecular Docking Reveal Anti‐Oxidative Stress Mechanism of Bupleuri Radix

作　　者：任海伟[1,2,3] 彭丹妮 魏浛夷 申兴国 郭晓鹏 赵洪源[1,2,3] 潘立超 田亚琴 REN Haiwei;PENG Danni;WEI Hanyi;SHEN Xingguo;GUO Xiaopeng;ZHAO Hongyuan;PAN Lichao;TIAN Yaqin(School of Life Science and Engineering,Lanzhou University of Technology,Lanzhou 730050,Gansu,China;Gansu Industrial Technology Center for Development and Biomanufacturing of Food and Pharmaceutical Resources,Lanzhou 730050,Gansu,China;Key Laboratory of Screening,Evaluation and Deep Processing of Chinese and Tibetan Medicines in Gansu Province,Lanzhou 730050,Gansu,China;Zhuoni County Testing and Inspection Center for Quality and Safety of Agricultural and Livestock Products,Gannan 747699,Gansu,China)

机构地区：[1]兰州理工大学生命科学与工程学院,甘肃兰州730050 [2]甘肃省食药资源开发与生物制造行业技术中心,甘肃兰州730050 [3]甘肃省中藏药筛选评价及深加工高校重点实验室,甘肃兰州730050 [4]卓尼县农畜产品质量安全检测检验中心,甘肃甘南747699

出　　处：《食品研究与开发》2025年第8期80-89,共10页Food Research and Development

基　　金：甘肃省知识产权计划项目(23ZSCQ036);兰州市科技计划项目(2022-2-94);兰州市青年科技人才创新项目(2023-QN-145)。

摘　　要：运用网络药理学和分子对接技术分析柴胡抗氧化应激的作用机制,通过网络药理学方法分析得到柴胡抗氧化应激的主要活性成分与核心靶点、柴胡与氧化应激的交集靶点以及可能的信号通路,预测柴胡主要活性成分与氧化应激核心靶点的结合能力。结果显示:从柴胡中筛选得到14种活性成分及378个作用靶点,后与1 934个氧化应激相关靶点取交集,得到191个共同靶点。基因本体(Gene Ontology,GO)功能和京都基因与基因组百科全书(Kyoto Encyclopedia of Genes and Genomes,KEGG)通路富集分析发现,柴胡的抗氧化应激作用主要通过影响癌症通路、阿尔茨海默病通路、磷脂酰肌醇-3-激酶/蛋白激酶B信号通路、Rap1信号通路、白细胞介素-17信号通路等实现。分子对接结果显示,从柴胡中筛选出的主要活性成分与抗氧化应激核心靶点间均具有较好的结合活性。综上,柴胡可通过多成分、多靶点、多通路调节机体氧化应激。The anti⁃oxidative stress mechanism of Bupleuri Radix was studied by network pharmacology and molecular docking.The major anti⁃oxidative stress components and core targets of Bupleuri Radix and the com⁃mon targets and signaling pathways shared by Bupleuri Radix and oxidative stress were obtained by network pharmacological methods.The binding affinity of major components to core target proteins was predicted.The results showed that 14 anti⁃oxidative stress components and 378 targets were screened from Bupleuri Radix,and 191 common targets were shared by Bupleuri Radix and oxidative stress(1934 targets).Gene Ontology(GO)function and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analyses showed that Bu⁃pleuri Radix mainly regulated oxidative stress via the cancer pathway,Alzheimer′s disease pathway,phosphati⁃dylinositol⁃3⁃kinase/protein kinase B signaling pathway,Rap1 signaling pathway,and interleukin⁃17 signaling pathway.The molecular docking results showed that the main anti⁃oxidative stress components of Bupleuri Ra⁃dix exhibited good binding affinity to the core targets related to oxidative stress.In conclusion,Bupleuri Radix might regulate oxidative stress via multiple components,targets,and pathways.

关 键 词：网络药理学 分子对接 柴胡 氧化应激 作用机制 

分 类 号：R285[医药卫生—中药学]