密花香薷挥发性成分对SMMC-7721细胞的抑制效应及机制研究

doi:10.16088/j.issn.1001-6600.2025040302

Abstract

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

CLC Number: R735.7

CHEN Haiyu, LI Jiuyi, XU Huaying, NIE Jintao, WANG Qian, MA Ning, WANG Yanan. Inhibitory Effects and Mechanisms of Elsholtzia densa Benth. Volatile Components on SMMC-7721 Cells[J].Journal of Guangxi Normal University(Natural Science Edition), 2025, 43(6): 174-187.

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

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