广西师范大学学报（自然科学版） ›› 2025, Vol. 43 ›› Issue (6): 174-187.doi: 10.16088/j.issn.1001-6600.2025040302

• 生态环境科学研究 • 上一篇    下一篇

密花香薷挥发性成分对SMMC-7721细胞的抑制效应及机制研究

陈海裕, 李玖一, 徐华英, 聂锦涛, 王倩, 马宁, 王亚男*   

  1. 四川师范大学 生命科学学院,四川成都 610101
  • 收稿日期:2025-04-03 修回日期:2025-05-20 发布日期:2025-11-19
  • 通讯作者: 王亚男(1973—),女,甘肃静宁人,四川师范大学教授,博士。E-mail: yanan.w@163.com
  • 基金资助:
    国家重点研发计划(2023YFC2604503);西南野生动植物资源保护教育部重点实验室开放基金(XNYB17-5);四川省科技厅应用基础研究项目(2020YJ0335)

Inhibitory Effects and Mechanisms of Elsholtzia densa Benth. Volatile Components on SMMC-7721 Cells

CHEN Haiyu, LI Jiuyi, XU Huaying, NIE Jintao, WANG Qian, MA Ning, WANG Yanan*   

  1. College of Life Science, Sichuan Normal University, Chengdu Sichuan 610101, China
  • Received:2025-04-03 Revised:2025-05-20 Published:2025-11-19

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摘要： 基于网络药理学、分子对接与体外实验研究相结合策略,探究密花香薷挥发油(essential oils of Elsholtzia densa Benth.,EOE)及其核心活性成分对肝细胞癌(HCC)细胞系SMMC-7721细胞的抑制作用及潜在机制。GC-MS鉴定出EOE含有22种成分,其中玫瑰呋喃环氧化物(33.99%)、D-柠檬烯(D-LIM,32.20%)和紫苏醛(PAH,14.52%)为主要成分。网络药理学筛选出14种活性成分,共涉及123个HCC靶点,核心活性成分包括PAH、D-LIM和芳樟醇(LNL),通过靶向TNF、IL1B、ESR1和MAPK3等核心蛋白来调控癌症通路、PI3K-Akt信号传导及细胞凋亡进程。体外实验证实,EOE及其核心活性成分PAH、D-LIM和LNL均能浓度依赖性地抑制SMMC-7721细胞的增殖,处理24 h后的IC50分别为87.4、89.7、121.9和418.7 μg/mL,且EOE、PAH和D-LIM能够上调Bax和Caspase3/9表达,下调Bcl-2、MMP9和CD44蛋白表达,从而促进细胞凋亡并抑制迁移。结果表明,EOE及其核心活性成分PAH和D-LIM可通过诱导凋亡、抑制增殖和迁移对SMMC-7721细胞发挥抑制作用。

关键词: 密花香薷, 挥发油, 紫苏醛, 网络药理学, 分子对接

Abstract: A strategy integrating network pharmacology, molecular docking, and in vitro experimental studies was employed to investigate the inhibitory effects and potential mechanisms of essential oils from Elsholtzia densa Benth. (EOE) and their core active components on the hepatocellular carcinoma (HCC) cell line SMMC-7721. Twenty-two components in EOE were identified by GC-MS, with 2-((3,3-Dimethyloxiran-2-yl)methyl)-3-methylfuran (33.99%), D-limonene (D-LIM, 32.20%), and perillaldehyde (PAH, 14.52%) as the predominant constituents. Network pharmacology revealed 14 active components targeting 123 hepatocellular carcinoma-related proteins. Core components PAH, D-LIM, and linalool (LNL) regulated cancer pathways, PI3K-Akt signaling, and apoptosis by interacting with TNF, IL1B, ESR1, and MAPK3. In vitro experiments demonstrated that EOE, PAH, D-LIM, and LNL concentration-dependently suppressed SMMC-7721 proliferation, showing 24 h IC50 values of 87.4, 89.7, 121.9, and 418.7 μg/mL, respectively. EOE, PAH, and D-LIM further induced apoptosis and inhibited migration by upregulating Bax and Caspase3/9 and downregulating Bcl-2, MMP9, and CD44 expression. The results suggest that EOE and its core components PAH and D-LIM inhibit SMMC-7721 cells through apoptosis induction, proliferation suppression, and migration blockade.

Key words: Elsholtzia densa Benth., essential oils, perill aldehyde, network pharmacology, molecular docking

中图分类号:  R735.7

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