天然产物研究与开发 ›› 2026, Vol. 38 ›› Issue (5): 1097-1107.doi: 10.16333/j.1001-6880.2026.5.018 cstr: 32307.14.1001-6880.2026.5.018

• 数据研究 • 上一篇    下一篇

基于GC-MS、网络药理学及体外实验探究紫苏叶挥发油抗结直肠癌的活性成分及作用机制

候武红1，黄  浩2，刘  明1,3，魏志豪2，张玉清2，申福葵2*，张伟怡1,4,5*   

  1. 1新疆医科大学药学院，乌鲁木齐 830011；2赣南医科大学药学院，赣州 341000；3中国海洋大学医药学院，青岛 266003 ；4新疆省天然药物有效成分与释放技术重点实验室；5新疆地区高发疾病研究教育部重点实验室，乌鲁木齐 830011
  • 出版日期:2026-05-26 发布日期:2026-05-26
  • 基金资助:
    新疆天然药物活性组分与释药技术重点实验室开放课题（2025XJTRZ04,2025XJTRZ05）；江西省自然科学基金青年基金（20252BAC200578）；江西省职业早期青年科技人才项目（20252BEJ730276）

Active components and mechanisms of Perillae Folium volatile oil against colorectal cancer based on GC-MS,network pharmacology and in vitro experiments

HOU Wu-hong1,HUANG Hao2,LIU Ming1,3,WEI Zhi-hao2,ZHANG Yu-qing2,SHEN Fu-kui2*,ZHANG Wei-yi1,4,5*   

  1. 1School of Pharmacy,Xinjiang Medical University,Urumqi 830011,China;2School of Pharmacy,Gannan Medical University,Ganzhou 341000,China;3School of Medicine and Pharmacy Ocean University of China,Qingdao 266003,China;4Xinjiang Key Laboratory of Natural Medicines Active Components and Drug Release Technology;5Key Laboratory of High Incidence Diseases Research in Xinjiang,Ministry of Education,Urumqi 830011,China
  • Online:2026-05-26 Published:2026-05-26

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摘要：

分析紫苏叶挥发油（Perillae Folium volatile oil，PFVO）的化学成分，并探究PFVO抗结直肠癌（colorectal cancer，CRC）的活性成分和作用机制。本研究以紫苏干燥叶为原料，用水蒸气蒸馏法提取PFVO，并采用气相色谱-质谱联用技术（GC-MS）鉴定PFVO的化学成分；利用网络药理学及分子对接探究PFVO抗CRC的潜在靶点及作用机制；体外实验采用CCK-8法测定PFVO活性成分对人结肠癌HCT116细胞的增殖抑制作用；RT-qPCR和Western blot实验检测潜在靶点的mRNA和通路相关蛋白的表达。GC-MS分析得出PFVO中有30个主要化学成分。网络药理学结果表明，PFVO通过作用于热休克蛋白90AA1（heat shock protein 90 alpha family class A member 1，HSP90AA1）、原癌基因酪氨酸蛋白激酶（proto-oncogene tyrosine-protein kinase Src，SRC）、磷脂酰肌醇3-催化亚基α（phosphatidylinositol 3-kinase catalytic subunit α，PIK3CA）等靶点，调控磷脂酰肌醇3-激酶/蛋白激酶B（phosphatidylinositol 3-kinase/protein kinase B，PI3K/AKT）及丝裂原活化蛋白激酶（mitogen-activated protein kinase，MAPK）信号通路而发挥抗CRC作用。分子对接得出紫苏醛、芹菜脑及反式-橙花叔醇与抗CRC潜在靶点具有较强的结合能力。体外实验结果显示，反式-橙花叔醇和芹菜脑对HCT116细胞具有显著的增殖抑制作用，PFVO下调了表皮生长因子受体（epidermal growth factor receptor，EGFR）mRNA表达（P<0.05），并降低了PI3K、AKT及雷帕霉素靶蛋白（mechanistic target of rapamycin，mTOR）的磷酸化水平（P<0.05、0.01、0.001）。综上，紫苏叶中含有丰富的挥发油成分，且以剂量依赖的方式发挥抗CRC的作用，其机制可能与抑制PI3K/AKT/mTOR有关。

关键词: 结直肠癌, 紫苏叶, 气相色谱-质谱联用技术, 网络药理学, 分子对接, PI3K/AKT/mTOR信号通路

Abstract:

This study aims to analyze chemical components of Perillae Folium volatile oil (PFVO) and investigate active components and mechanism underlying its anti-colorectal cancer (CRC) effects. Dried Perillae Folium were used as the raw material, and the volatile oil was extracted by steam distillation. The chemical constituents of the volatile oil were identified by gas chromatography-mass spectrometry (GC-MS). Network pharmacology and molecular docking were employed to investigate the potential target proteins and mechanisms of PFVO. In vitro inhibitory effects of the active components of the essential oil on the proliferation of human colon cancer HCT116 cells were assessed using CCK-8 assay. RT-qPCR and Western blot were used to detect the expression of mRNA of potential targets and pathway-related proteins. GC-MS analysis identified 30 major chemical constituents in PFVO. Network pharmacology results indicated that PFVO exerts anti-CRC effects by targeting heat shock protein 90 alpha family class A member 1 (HSP90AA1), proto-oncogene tyrosine-protein kinase Src (SRC), phosphatidylinositol 3-kinase catalytic subunit α (PIK3CA) and other targets, regulating the phosphatidylinositol 3-kinase/protein kinase B (PI3K/AKT) and mitogen-activated protein kinase (MAPK) signaling pathways. Molecular docking  revealed that perillaldehyde, apiole, and trans-nerolidol possess strong binding affinities with potential anti-CRC targets. In vitro experiments demonstrated that trans-nerolidol and apiol significantly inhibited the proliferation of HCT116 cells. Additionally, PFVO downregulated EGFR mRNA expression (P<0.05) and reduced the phosphorylation levels of PI3K, AKT, and mechanistic target of rapamycin (mTOR) (P<0.05, 0.01, and 0.001). In conclusion, Perillae Folium are rich in volatile oils and exert anti-CRC effects in a dose-dependent manner, a mechanism that may involve the inhibition of the PI3K/AKT/mTOR pathway.

Key words:

colorectal cancer; Perillae Folium, GC-MS, network pharmacology, molecular docking, PI3K/AKT/mTOR signaling pathway

中图分类号:  R961.1

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