GEO芯片分析结合网络药理学及分子对接探讨莪术醇治疗宫颈癌的机制

GEO Microarray Analysis Combined with Network Pharmacology and Molecular Docking to Explore the Mechanism of Curcumol in the Treatment of Cervical Cancer

摘要: 目的：通过整合GEO芯片数据集、运用网络药理学和分子对接技术，探讨莪术醇治疗宫颈癌的药理机制。方法：利用多个在线数据库检索莪术醇及宫颈癌的潜在靶点，对交集靶点构建PPI网络和进行功能富集分析，最后对核心基因进行分子对接验证。结果：莪术醇和宫颈癌交集靶点总数为239个，主要涉及脂多糖反应、羧酸结合、蛋白酪氨酸激酶活性等生物学过程，并在PI3K-AKT、MAPK和Ras三条信号通路上有显著聚集。分子对接结果表明，莪术醇可以稳定结合EGFR、HIF1A及TNF等核心靶点。结论：莪术醇可能通过多个信号通路和多个靶点来发挥治疗作用。

Abstract: Objective: This study aims to integrate GEO microarray data, network pharmacology, and molecular docking to elucidate the mechanism of action of Curcumol in the treatment of cervical cancer. Methods: Potential targets of Curcumol and cervical cancer were identified using multiple databases. Intersection analysis was employed to determine common targets, which facilitated the construction of a protein-protein interaction (PPI) network. Subsequently, Gene Ontology (GO) and KEGG pathway analyses were conducted, followed by molecular docking to validate core genes. Results: A total of 239 common targets associated with Curcumol and cervical cancer were identified, primarily implicated in biological processes including lipopolysaccharide response, carboxylic acid binding, and protein tyrosine kinase activity. Notable enrichment was observed in the PI3K-AKT and MAPK signaling pathways. Molecular docking analyses indicated that Curcumol demonstrates stable binding affinity to targets such as EGFR, HIF1A, and TNF. In conclusion, Curcumol may exert therapeutic effects through the modulation of multiple signaling pathways.