基于LC-MS/MS和网络药理学探究柴胡内生菌株A12抗氧化作用机制

doi:10.3969/j.issn.1009-7791.2026.03.006

亚热带植物科学 ›› 2026, Vol. 55 ›› Issue (3): 315-327.DOI: 10.3969/j.issn.1009-7791.2026.03.006

基于LC-MS/MS和网络药理学探究柴胡内生菌株A12抗氧化作用机制

司玉娟¹，姜侃^1,2*，杨俐国¹，安华辉¹，王鑫¹，马钰双¹

(1. 甘肃农业大学农学院 / 省部共建干旱生境作物学国家重点实验室，甘肃兰州 730070；2. 甘肃省高校种业产业研究院，甘肃兰州 730070)

收稿日期:2026-04-11 接受日期:2026-05-21 出版日期:2026-06-30 发布日期:2026-06-30
通讯作者: 姜侃

Exploring the Antioxidant Mechanism of Endophytic Strain A12 from Bupleurum chinense Based on LC-MS/MS and Network Pharmacology

SI Yu-juan¹, JIANG Kan^1,2*, YANG Li-guo¹, AN Hua-hui¹, WANG Xin¹, MA Yu-shuang¹

(1. College of Agronomy / State Key Laboratory of Aridland Crop Science, Gansu Agricultural University, Lanzhou 730070, Gansu China; 2. Seed Industry Research Institute of Gansu Provincial University, Lanzhou 730070, Gansu China)

Received:2026-04-11 Accepted:2026-05-21 Online:2026-06-30 Published:2026-06-30
Contact: JIANG Kan

摘要/Abstract

摘要： 为挖掘柴胡内生菌来源的天然抗氧化活性资源，阐明菌株A12的抗氧化作用机制，本研究开展了系统的体外功能验证与分子机制解析。菌株A12提取物对DPPH自由基、ABTS自由基及羟自由基均具有显著清除能力，并可显著提高SOD、CAT、POD等内源性抗氧化酶活性。在此基础上，采用LC-MS/MS对其发酵提取物进行活性成分鉴定，结合网络药理学筛选核心作用靶点与信号通路，并通过分子对接验证关键成分与靶点的结合活性，同时以体外实验对其抗氧化功效进行佐证。LC-MS/MS分析结果显示，菌株A12提取物中含有多酚、黄酮、萜类等多种潜在抗氧化活性成分；网络药理学筛选获得PTGS2、TNF、AKT1、HSP90AA1等15个抗氧化核心靶点，其主要富集于凋亡信号通路调控、细胞对激素刺激的应答等关键生物过程。分子对接结果进一步证实，核心活性成分与关键靶点间具有较强的结合亲和力，可形成稳定复合物。柴胡内生菌株A12通过多成分、多靶点、多通路协同作用发挥抗氧化效应，具备开发为天然抗氧化剂的潜力，可为柴胡内生菌的药用开发与应用提供理论依据。

关键词: 柴胡, 菌株A12, 网络药理学, 抗氧化, 分子对接

Abstract: To explore natural antioxidant resources derived from endophytes of Bupleurum chinense and clarify the antioxidant mechanism of strain A12, systematic in vitro functional verification and molecular mechanism analysis were performed in this study. The in vitro antioxidant assays demonstrated that the extract of strain A12 exhibited significant scavenging activities against DPPH, ABTS and hydroxyl radicals, and significantly enhanced the activities of endogenous antioxidant enzymes including SOD, CAT and POD. On this basis, the bioactive components in its fermented extract were identified by LC-MS/MS. Core targets and signaling pathways were screened via network pharmacology, and the binding activities between key components and targets were verified by molecular docking, with the antioxidant efficacy further confirmed by in vitro experiments. LC-MS/MS analysis revealed the presence of multiple potential antioxidant components in strain A12 extract, such as polyphenols, flavonoids and terpenoids. Network pharmacology identified 15 core antioxidant targets including PTGS2, TNF, AKT1 and HSP90AA1, which were mainly enriched in biological processes including the regulation of apoptotic signaling pathways and cellular response to hormone stimulation. Molecular docking further confirmed that the core bioactive components possessed strong binding affinities with key targets and could form stable complexes. Collectively, these results indicated that endophytic strain A12 from B. chinense exerts its antioxidant effect through the synergistic action of multiple components, multiple targets and multiple pathways. It can be used as a potential resource for the development of natural antioxidants, providing a theoretical basis for the medicinal research and development of endophytes from B. chinense.

Key words: Bupleurum chinense, strain A12, network pharmacology, antioxidant activity, molecular docking

中图分类号:

S567.23

司玉娟, 姜侃, 杨俐国, 安华辉, 王鑫, 马钰双. 基于LC-MS/MS和网络药理学探究柴胡内生菌株A12抗氧化作用机制[J]. 亚热带植物科学, 2026, 55(3): 315-327.

SI Yu-juan, JIANG Kan, YANG Li-guo, AN Hua-hui, WANG Xin, MA Yu-shuang. Exploring the Antioxidant Mechanism of Endophytic Strain A12 from Bupleurum chinense Based on LC-MS/MS and Network Pharmacology[J]. Subtropical Plant Science, 2026, 55(3): 315-327.

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基于LC-MS/MS和网络药理学探究柴胡内生菌株A12抗氧化作用机制

Exploring the Antioxidant Mechanism of Endophytic Strain A12 from Bupleurum chinense Based on LC-MS/MS and Network Pharmacology

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