天然产物研究与开发 ›› 2020, Vol. 32 ›› Issue (1): 23-31.doi: 10.16333/j.1001-6880.2020.1.004

• 研究论文 • 上一篇    下一篇

基于生物分子网络和分子对接研究槲皮素抗宫颈癌的机制

朱晓芹1,刘志强2,王博龙1*   

  1. 1宜春学院化学与生物工程学院,宜春 336000;2鹤壁职业技术学院,鹤壁 458000
  • 出版日期:2020-01-28 发布日期:2020-03-25
  • 基金资助:

    江西省教育厅科技项目(GJJ12596)

Mechanism of quercetin against cervical cancer based on biomolecular network and molecular docking

ZHU Xiao-qin1,LIU Zhi-qiang 2,WANG Bo-long1*   

  1. 1School of Chemical and Biological Engineering,Yichun University,Yichun 336000,China;2Hebi Vocational and Technical College,Hebi 458000,China
  • Online:2020-01-28 Published:2020-03-25

摘要: 为了研究槲皮素抗宫颈癌的网状作用机制,本研究运用TCMSP、Swiss TargetPrediction、CTD、GeneCards、DisGeNET、Open Targets 数据库及STRING平台,筛选并构建槲皮素抗宫颈癌靶点网络及蛋白互作网络;利用OmicShare云平台进行靶点GO功能富集分析;通过DAVID 6.8平台进行靶点KEGG通路富集分析;应用AutoDuck Vina软件进行分子对接,分析槲皮素与主要靶点的亲和力。结果发现槲皮素能作用于TP53、MYC、VEGFA、STAT3、CCND1、AKT1、CASP3等宫颈癌主要靶点,且亲和力高于原配体;调控p53、Apoptosis、PI3K-Akt、Jak-STAT等信号通路,具有阻滞宫颈癌细胞周期进程,诱导其凋亡,抗肿瘤血管形成等多重抗癌机制,可作为宫颈癌潜在治疗药物进一步研究。

关键词: 生物分子网络, 槲皮素, 宫颈癌, 信号通路, 靶点

Abstract: In order to study the mesh action mechanism of quercetin against cervical cancer,TCMSP,Swiss TargetPrediction,CTD,GeneCards,DisGeNET,Open Targets databases and STRING platform were used to screen and construct the network of quercetin-anticervical cancer targets and protein-protein interaction network in this study.OmicShare cloud platform was used for GO function enrichment analysis of targets.DAVID 6.8 platform was used for KEGG pathway enrichment analysis of targets.AutoDuck Vina software was used for molecular docking to analyze the affinity of quercetin and the main targets.The results showed that quercetin can act on TP53,MYC,VEGFA,STAT3,CCND1,AKT1,CASP3 and other main targets of cervical cancer,and their affinity was higher than that of the original ligands,regulate p53,Apoptosis,PI3K-Akt,Jak-STAT and other signaling pathways,these targets and signaling pathways can block the process of cervical cancer cell cycle,and induce its apoptosis,resist tumor angiogenesis and other multiple anticancer mechanisms.quercetin can be further studied as potential therapeutic drug for cervical cancer.

Key words: biomolecular network, quercetin, cervical cancer, signal pathway, target

中图分类号: 

R285.5