基于UPLC-QTOF-MS、网络药理学和实验验证探讨复方鹿仙草颗粒抗肝癌作用机制

doi:10.16088/j.issn.1001-6600.2024080505

摘要/Abstract

摘要： 为探究复方鹿仙草颗粒(Fufang Luxiancao Keli, FLK)对肝癌的抗肿瘤效果及其机制,本文通过UPLC-QTOF-MS鉴定出FLK中的57个化学成分,利用网络药理学和分子对接技术,结合GO和KEGG分析,筛选出37个活性成分,与肝癌有338个交集靶点,核心靶点为PIK3CA、PIK3CB、PIK3CD、PIK3R1和EGFR,涉及蛋白磷酸化、细胞迁移、活化和增殖等生物过程。KEGG分析表明,FLK可能通过影响癌症通路、PI3K-Akt信号通路等关键途径来抑制肝癌细胞的生长。体外细胞实验验证了网络药理学的结果,显示FLK能有效抑制肝癌细胞的增殖、克隆和迁移,并诱导细胞凋亡和周期阻滞。研究结果表明,FLK可能通过调节PI3K-Akt等信号通路发挥抗肿瘤作用。

关键词: 复方鹿仙草颗粒, 肝癌, UPLC-QTOF-MS, 网络药理学, 分子对接

Abstract: The study aimed to explore the antitumor effects of Fufang Luxiancao Keli(FLK) on liver cancer and its underlying mechanisms. A total of 57 chemical components were identified using UPLC-QTOF-MS technology. Employing network pharmacology tools and molecular docking techniques, coupled with GO and KEGG analyses, it was revealed that the drug contains 37 active ingredients with 338 intersecting targets related to liver cancer. The core targets include PIK3CA, PIK3CB, PIK3CD, PIK3R1, and EGFR, which were involved in biological processes such as protein phosphorylation, cell migration, activation, and proliferation. KEGG analysis suggested that FLK may inhibit the growth of liver cancer cells by affecting key pathways such as the cancer pathway and the PI3K-Akt signaling pathway. In vitro cellular experiments confirmed the results of network pharmacology, demonstrating that FLK effectively inhibits the proliferation, cloning, and migration of liver cancer cells, and induces apoptosis and cell cycle arrest. The findings indicated that FLK may exert its antitumor effects by regulating signaling pathways such as PI3K-Akt.

Key words: Fufang Luxiancao Keli, liver cancer, UPLC-QTOF-MS, network pharmacology, molecular docking

中图分类号: R284

覃业浩, 郭晨静, 吴黎川, 魏鹏程. 基于UPLC-QTOF-MS、网络药理学和实验验证探讨复方鹿仙草颗粒抗肝癌作用机制[J]. 广西师范大学学报（自然科学版）, 2025, 43(2): 221-237.

QIN Yehao, GUO Chenjing, WU Lichuan, WEI Pengcheng. Exploring the Anti-Liver Cancer Mechanism of Fufang Luxiancao Keli Based on UPLC-QTOF-MS, Network Pharmacology, and Experimental Validation[J]. Journal of Guangxi Normal University(Natural Science Edition), 2025, 43(2): 221-237.

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