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基于网络药理学和分子对接探讨小蓟饮子治疗膀胱癌的作用机制

杨文杰 高潇雪

山西医科大学学报2025,Vol.56Issue(5):484-494,11.
山西医科大学学报2025,Vol.56Issue(5):484-494,11.DOI:10.13753/j.issn.1007-6611.2025.05.004

基于网络药理学和分子对接探讨小蓟饮子治疗膀胱癌的作用机制

Mechanism of Xiaoji Yinzi in the treatment of bladder cancer based on network pharmacology and molecular docking

杨文杰 1高潇雪2

作者信息

  • 1. 山西医科大学第一医院泌尿外科,太原 030001
  • 2. 山西省白求恩医院消化内科
  • 折叠

摘要

Abstract

Objective To explore the mechanism of Xiaoji Yinzi in the treatment of bladder cancer based on network pharmacology,molecular docking,and in vitro experiments.Methods ①Potential targets of Xiaoji Yinzi related to bladder cancer were screened using the TCMSP and GeneCards databases.A network of"herbal medicine-active components-targets-pathways-disease"was con-structed using Cytoscape 3.10.2 software.Molecular docking technology was applied to validate the affinity between key active compo-nents and core targets obtained from the network.②TCCSUP cells were respectively treated with different concentrations of quercetin(50-150 μmol/L)and kaempferol(100-200 μmol/L),and the inhibitory rate was detected by MTT assay.TCCSUP cells were divided into blank control group,quercetin(75,100,125 μmol/L)groups,and kaempferol(150,175,200 μmol/L)groups,and then the ex-pressions of ESR1/MAPK pathway proteins were detected.Results ①A total of 109 active components of Xiaoji Yinzi,including robinin and quercetin,and 84 potential targets for bladder cancer were identified through network pharmacology.Molecular docking re-sults showed that quercetin,kaempferol,licochalcone A,acacetin,and formononetin had good affinity with PTGS2,ESR1,HSP90AA1,AR,and PPARG.②Quercetin and kaempferol significantly reduced the viability of bladder cancer cells in a dose-depen-dent manner(P<0.05).Quercetin and kaempferol inhibited the expressions of ESR1 and MAPK proteins in dose-dependent patterns(P<0.05).Conclusion The herbal formula Xiaoji Yinzi may inhibit bladder cancer cell proliferation through its core bioactive compo-nents,such as quercetin and kaempferol,and can exert anti-bladder cancer effects by targeting the ESR1 and MAPK signaling axes.

关键词

小蓟饮子/膀胱癌/网络药理学/中药/分子对接/细胞实验

Key words

Xiaoji Yinzi/bladder cancer/network pharmacology/Chinese mdicine/molecular docking/cell experiments

分类

医药卫生

引用本文复制引用

杨文杰,高潇雪..基于网络药理学和分子对接探讨小蓟饮子治疗膀胱癌的作用机制[J].山西医科大学学报,2025,56(5):484-494,11.

山西医科大学学报

1007-6611

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