NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2026, Vol. 38 ›› Issue (5): 1097-1107. doi: 10.16333/j.1001-6880.2026.5.018 cstr: 32307.14.1001-6880.2026.5.018

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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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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

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