摘要: |
目的:基于网络药理学预测桃仁-红花治疗葡萄胎(HM)的分子作用机制。方法:以网络药理学方法为基础,依托中药系统药理学数据库和分析平台(TCMSP)筛选桃仁-红花的活性成分及作用靶点;借助GeneCards、OMIM、Drug Bank、PharmGKB等数据库筛选葡萄胎的疾病靶标,绘制Venn图,构建药对-疾病“活性成分-作用靶点”网络图,绘制蛋白互作网络(PPI),完成GO和 KEGG 富集分析,进一步用分子对接来验证和筛选靶点。结果:研究共筛选得到槲皮素、木犀草素等8个活性成分,分别作用于AKT1、TP53、EGFR等39个相关靶点;GO富集分析显示桃仁-红花的活性成分主要涉及凝血、改善血流动力学、调控细胞凋亡和细胞增殖、抗炎等生物学过程。KEGG富集通路HM有显著作用的有MAPK信号通路、血流剪切应力与动脉粥样硬化信号通路等;分子对接进一步验证了槲皮素与AKT1的相关性。结论:桃仁-红花药对包括槲皮素、木犀草素等8个活性成分,其治疗葡萄胎主要通过多靶点多通路起作用,为后续临床治疗葡萄胎提供了新的思路。 |
关键词: 桃仁 红花 葡萄胎 妊娠滋养细胞疾病 网络药理学 |
DOI: |
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Active components of peach seed-Carthamus tinctorius and its molecular mechanism in treatment of hydatidiform mole:An analysis based on network pharmacology |
XIA Yu,ZHAO Yudong,KUANG Gaoyan |
(Hunan University of Chinese Medicine,Changsha 410208,Hunan,China;The Affiliated Hospital of Chengdu University of Traditional Chinese Medicine,Chengdu 610075,Sichuan,China;The Affiliated Hospital of Chengdu University of Traditional Chinese Medicine,Changsha 410007,Hunan,China) |
Abstract: |
Objective:To investigate the molecular mechanism of peach seed-Carthamus tinctorius in the treatment of hydatidiform mole (HM) based on network pharmacology.Methods:Based on the method of network pharmacology,the Traditional Chinese Medicine Systems Pharmacology platform was used to screen out the active components of peach seed-Carthamus tinctorius and related targets.GeneCards,OMIM,Drug Bank,and PharmGKB databases were used to screen out the targets of HM.Venn diagram was plotted,the “drug pair-disease-active component-target” network was constructed,the protein-protein interaction network was established,and GO and KEGG enrichment analyses were performed.Molecular docking was used for the validation and screening of targets.Results:A total of 8 active components (including quercetin and luteolin) were screened out,which acted on 39 targets including AKT1,TP53,and EGFR.The GO enrichment analysis showed that the active components of peach seed-Carthamus tinctorius were mainly involved in the biological processes such as coagulation,improvement of hemodynamics,regulation of cell apoptosis and cell proliferation,and anti-inflammation.The KEGG pathway enrichment analysis showed that the signaling pathways of MAPK,blood shear stress,and atherosclerosis had a marked effect on HM,and molecular docking further verified the association between quercetin and AKT1.Conclusion:The peach seed-Carthamus tinctorius drug pair has 8 active components including quercetin and luteolin and exerts a therapeutic effect on HM via multiple targets and pathways,which provides new ideas for the clinical treatment of HM. |
Key words: peach seed Carthamus tinctorius hydatidiform mole gestational trophoblastic disease network pharmacology |