基于网络药理学和分子对接技术的苍耳子抗结直肠癌作用机制研究  

Study on the Mechanism of Anti-colorectal Cancer Effect of Fructus Xanthii Based on Network Pharmacology and Molecular Docking Technology

作　　者：冯淑琦 张钰怡 邬楚雯 文碧宜 张巨峰 FENG Shuqi;ZHANG Yuyi;WU Chuwen;WEN Biyi;ZHANG Jufeng(School of Life Sciences and Biopharmaceuticals,Guangdong Pharmaceutical University,Guangdong Guangzhou 510006)

机构地区：[1]广东药科大学生命科学与生物制药学院,广东广州510006

出　　处：《深圳中西医结合杂志》2025年第1期1-4,I0002,I0003,共6页Shenzhen Journal of Integrated Traditional Chinese and Western Medicine

基　　金：广东省大学生创新创业训练计划(S202410573011,202310573078)。

摘　　要：目的:研究苍耳子治疗结直肠癌的潜在分子机制,为其作为抗癌药物提供科学依据。方法:利用中药系统药理学数据库与分析平台(TCMSP)筛选苍耳子活性成分及其靶点,并利用UniProt数据库确认这些靶点的人类基因对应情况。GeneCards数据库识别结直肠癌相关靶点,并进行交集分析以确定共有靶点,进一步构建蛋白质相互作用网络(PPI)。通过注释、可视化和综合发现数据库(DAVID)进行基因本体(GO)富集分析和京都基因与基因组百科全书(KEGG)富集分析。利用癌症基因组图谱数据库(TCGA)和分子对接平台(SwissDock)验证关键靶点的表达及与活性成分的结合能力。结果:共鉴定出151个共有靶点,构建了PPI网络,揭示了核心基因和关键信号通路。发现白细胞介素–6(IL–6)基因和肿瘤蛋白p53(TP53)基因在结直肠癌中高表达,苍耳子的抗肿瘤活性成分苍耳亭与这些蛋白有强结合能力。结论:苍耳子可能通过调控IL–6和TP53等关键靶点治疗结直肠癌,这为结直肠癌治疗提供了新策略。Objective To investigate the potential molecular mechanisms of Fructus Xanthii in the treatment of colorectal cancer and to provide a scientific basis for its development as an anticancer drug.Methods Active components and targets of Fructus Xanthii were screened using the traditional Chinese medicine systems pharmacology database and analysis platform(TCMSP),and the corresponding human genes of these targets were confirmed using UniProt database.Colorectal cancer-related targets were identified using the GeneCards database,and an intersection analysis was performed to determine shared targets.The protein-protein interaction(PPI)network was constructed,and database for annotation,visualization and integrated discovery(DAVID)was utilized for gene ontology(GO)and Kyoto encyclopedia of genes and genomes(KEGG)analyses.The expression of key targets and their binding capacity with active components were verified using the cancer genome atlas(TCGA)database and the molecular docking platform(SwissDock).Results A total of 151 shared targets were identified,and a PPI network was constructed,revealing core genes and key signaling pathways.It was found that interleukin-6(IL-6)and tumor protein p53(TP53)highly expressed in colorectal cancer,and the antitumor active component of Fructus Xanthii,xanthatin had a strong binding capacity with these proteins.Conclusion Fructus Xanthii may treat colorectal cancer by regulating key targets such as IL6 and TP53,offering a new strategy for the treatment of colorectal cancer.

关 键 词：苍耳子 结直肠癌 网络药理学 分子对接 

分 类 号：R285.5[医药卫生—中药学]