目的 探讨欧前胡素治疗宫颈癌的活性成分和作用机制。方法 通过使用网络药理学筛选欧前胡素药用成分和疾病宫颈癌靶点并进行相关的分子对接技术验证。中草药系统药理平台查找欧前胡素的有效成分和作用靶点，采用OMIM和Gen-eCards数据库，对宫颈癌相关的目标基因进行交叉筛选，Cytoscape软件分析宫颈癌和欧前胡素的共同靶点，String数据库分析并建构PPI网络分析，Rstudo 4。0软件分析并绘图，DAVID生物信息数据库统计，GO富集、KEGG富集分析。分子对接使用AutoDock分析。结果 PPI网络结果显示TERT、ESR1、PTGS2、PGR、PPARG、CA9、ESR2、AR、CASP9、ALPL、CLK1可能为欧前胡素和宫颈癌的核心靶点。GO富集得到26个生物过程，KEGG富集得到6条主要通路，包括Chemical cancer recep-tor activation、Estrogen、Breast cancer、VEGF、Prolactin等信号通路。分子对接结果显示LYS-243、ARG-240和GLU-272等化合物能与宫颈癌的核心靶点有良好的结合力。结论 欧前胡素可能通过与ESR1、PGR、PTGS2、ESR2、CASP9等结合，在VEGE、雌激素、孕激素等信号通路发挥抗治疗宫颈癌的作用。
Network Pharmacology and Molecular Docking-Based Mechanisms of Action of Imperatorin in Treating Cervical Cancer
Objective To explore the active ingredients and mechanism of action of imperatorin in the treatment of cervical cancer.Method By using network pharmacology to screen the medicinal components and cervical cancer targets of imperatorin and conducting relevant molecular docking technology validation.The pharmacological platform of the Chinese herbal medicine system searches for ef-fective ingredients and targets of imperatorin and uses OMIM and GeneCards databases to cross-screen target genes related to cervical cancer.Cytoscape software analyzes the common targets of cervical cancer and imperatorin,String database analysis and constructs PPI network analysis,Rstudo 4.0 software analysis and mapping,DAVID biological information database statistics,GO enrichment and KEGG enrichment analysis.Molecular docking using AutoDock analysis.Result The PPI network results showed that TERT,ESR1,PTGS2,PGR,PPARG,CA9,ESR2,AR,CASP9,ALPL,and CLK1 may be core targets for imperatorin and cervical cancer.GO enrichment re-sulted in 26 biological processes,while KEGG enrichment resulted in 6 main pathways,including Chemical cancer receptor activation,Estrogen,Break cancer,VEGF,Prolactin,and other signaling pathways.The molecular docking results show that compounds such as LYS-243,ARG-240,and GLU-272 have good binding power with the core targets of cervical cancer.Conclusion Imperatorin may play an anti-therapeutic role against cervical cancer by binding to ESR1,PGR,PTGS2,ESR2,CASP9,and other signaling pathways such as VEGE,estrogen,and progesterone.
imperatorincervical cancernetwork pharmacologymechanism of action
国家科技期刊平台
NSTL
万方数据
