现代医药卫生2024,Vol.40Issue(6) :923-929.DOI:10.3969/j.issn.1009-5519.2024.06.005

基于网络药理学和分子对接探讨八珍汤治疗乳腺癌的作用机制

Mechanism of Bazhen Decoction in the treatment of breast cancer based on network pharmacology and molecular docking

党文军 聂宏 刘爽 孔祥颖 姜雨微
现代医药卫生2024,Vol.40Issue(6) :923-929.DOI:10.3969/j.issn.1009-5519.2024.06.005

基于网络药理学和分子对接探讨八珍汤治疗乳腺癌的作用机制

Mechanism of Bazhen Decoction in the treatment of breast cancer based on network pharmacology and molecular docking

党文军 1聂宏 1刘爽 2孔祥颖 2姜雨微2
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作者信息

  • 1. 黑龙江中医药大学,黑龙江佳木斯 154007
  • 2. 佳木斯大学,黑龙江佳木斯 154007
  • 折叠

摘要

目的 基于网络药理学和分子对接探讨八珍汤防治乳腺癌的分子机制.方法 利用数据平台筛选八珍汤活性成分,利用数据库筛选乳腺癌相关靶点.以软件构建"药物-化合物-靶点"网络,并用分子对接验证有效成分与靶点亲和力.结果 筛选出八珍汤有效成分2 336个,潜在靶点211个.分子对接结果显示活性成分槲皮素、柚皮素、山柰酚与关键靶点ATK1、CASP3具有良好亲和力.结论 初步明确八珍汤治疗乳腺癌的作用机制是通过山柰酚、槲皮素、柚皮素等活性成分作用于AKT1、CASP3等关键靶点.

Abstract

Objective To investigate the molecular mechanism of Bazhen Decoction against breast canc-er based on network pharmacology and molecular docking.Methods To screen the active ingredients of Ba-zhen Decoction using the data platform,and to screen the targets related to breast cancer using the database.The"drug-compound-target"network was constructed by software,and the affinity between active ingredients and targets was verified by molecular docking.Results A total of 2 336 active ingredients and 211 potential targets were identified in Bazhen Decoction.The molecular docking results showed that the active ingredients quercetin,naringenin and kaempferol had good affinity with the key targets ATK1 and CASP3.Conclusion This study preliminarily clarified the mechanism of action of Bazhen Decoction could be prepared by the active ingredient of kaempferol quercetin,naringenin,etc.acts on key targets such as AKT1 and CASP3.

关键词

八珍汤/乳腺癌/网络药理学/机制预测/分子对接

Key words

Bazhen Decoction/Breast cancer/Network pharmacology/Mechanism prediction/Molecular docking

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基金项目

黑龙江省卫生健康委科技项目(2022)(20220404080704)

黑龙江省青年科技人才托举工程项目(2022)(2022QNTJ016)

出版年

2024
现代医药卫生
重庆市卫生信息中心

现代医药卫生

影响因子:0.758
ISSN:1009-5519
参考文献量27
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