神经药理学报 ›› 2023, Vol. 13 ›› Issue (2): 6-.DOI: 10.3969/j.issn.2095-1396.2023.02.002

• 研究论文 • 上一篇    下一篇

基于网络药理学技术预测槲皮素治疗乳腺癌的靶点

尤斯涵,殷宏艳,李 泽,夏 蕾,郭春燕   

  1. 河北北方学院药学院,河北省神经药理学重点实验室,张家口,075000,中国

  • 出版日期:2023-04-26 发布日期:2023-11-30
  • 通讯作者: 郭春燕,E-mail:guochy0311@163.com
  • 作者简介:尤斯涵,硕士研究生;研究方向:网络药理学研究,E-mail:478032008@qq.com

Prediction of the Target of Quercetin in the Treatment of Breast Cancer Based on Network Pharmacology

YOU Si-han, YIN Hong-yan, LI Ze, XIA Lei, GUO Chun-yan   

  1. Department of Pharmacy, Hebei North University, Hebei Key Laboratory of Neuropharmacology, Zhangjiakou, 075000, China

  • Online:2023-04-26 Published:2023-11-30

摘要:

目的:通过网络药理学预测槲皮素(quercetin, Que)治疗乳腺癌(breast cancer,BC)的潜在靶点。方法:通过SwissTargetPrediction数据库预测Que靶点,通过TTD数据库获得BC靶点。将Que与BC的靶点进行映射,得到Que与BC的共同靶点。通过STRING数据库构建其蛋白-蛋白相互作用(Protein-protein interaction,PPI)网络并进行分析;利用DAVID数据库进行GO富集分析和KEGG通路分析。对上述分析的Que与BC的部分共同靶点进行分子对接和分析。结果:从Que中筛选出77个靶点,118个BC靶点,映射后得到20个共同靶点。构建其PPI网络,经拓扑得到由13个共同靶点组成的拓扑后PPI网络。GO富集分析得到67条生物过程,10个细胞组分和27条分子功能的信息。KEGG通路分析得到20条通路。经过PPI,GO和KEGG分析得到BC与Que的5个潜在靶点(KDR、AKT1、IGF1R、INSR、EGFR),对部分靶点进行分子对接验证发现对接能较低,与PPI,GO和KEGG分析结果相符。结论:利用网络药理学找到了Que治疗BC的潜在靶点,为后续Que治疗BC提供了新的理论思路。

关键词: 乳腺癌, 槲皮素, 网络药理学

Abstract:

Objective: To predict the potential target of quercetin (Que) in the treatment of breast cancer (BC) through network pharmacological prediction. Methods: The target of Que was predicted through the SwissTargetPrediction database; BC targets were obtained through TTD database. The common targets intersection of Que and BC was obtained by mapping the target of Que and BC. The protein-protein interaction (PPI) network was constructed and analyzed through STRING database; DAVID database was used for Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis. Molecular docking and analysis of some common targets of quercetin-BC analyzed above. Results: 77 targets and 118 targets were selected from Que and BC, and 20 common targets were obtained from the intersection. After the protein-protein interaction (PPI) network was constructed, the post-topological PPI network composed of 13 common targets was obtained through topology. Through GO enrichment analysis, 67 biological processes, 10 cell components and 27 molecular functions were obtained. KEGG pathway analysis obtained 20 pathways. Through PPI, GO and KEGG analysis, five potential targets (KDR, AKT1, IGF1R, INSR, EGFR) of BC and Que were obtained. Molecular docking verification was performed on some of the targets, and it was found that the docking energy was low, which was consistent with the results of PPI, GO and KEGG analysis. Conclusion: The potential target of Que in the treatment of BC has been found by using network pharmacology, which provides a new theoretical idea for the follow-up treatment of BC with quercetin.

Key words: Breast Cancer, Quercetin, Network Pharmacology