天然产物研究与开发 ›› 2024, Vol. 36 ›› Issue (2): 322-335.doi: 10.16333/j.1001-6880.2024.2.015

• 数据研究 • 上一篇    下一篇

基于数据挖掘和网络药理学探究海洋中药治疗乳腺增生的用药规律及作用机制

张婉悦,杨旭杰*   

  1. 河北中医药大学基础医学院,石家庄 050020
  • 出版日期:2024-02-23 发布日期:2024-02-23
  • 基金资助:
    国家自然科学基金(81904321);河北省自然科学基金(H2022423311)

Medication patterns and mechanism of marine Chinese medicine in the treatment of hyperplasia of mammary glands based on data mining and network pharmacology

ZHANG Wan-yue,YANG Xu-jie*   

  1. School of Basic Medicine,Hebei University of Traditional Chinese Medicine,Shijiazhuang 050020,China
  • Online:2024-02-23 Published:2024-02-23

摘要:

基于数据挖掘、网络药理学及动物实验,挖掘含海洋中药的授权专利组方治疗乳腺增生的用药规律、探究核心药组治疗乳腺增生的作用机制。搜集1993年至2022年间治疗乳腺增生的授权复方专利文献,其中含海洋中药的专利组方有157首。组方中高频海洋中药有牡蛎、海藻、昆布等,高频非海洋中药有柴胡、当归、夏枯草等;高频药物可聚为三类;关联规则分析获得的核心药组为柴胡-牡蛎-当归。网络药理学分析显示柴胡-牡蛎-当归药组治疗乳腺增生的核心靶点有TP53、AKT1、ALB、ESR1;核心成分有槲皮素、山柰酚、异鼠李素、β-谷甾醇;核心药组治疗乳腺增生与P13K-ATK信号通路关系密切。分子对接结果显示核心药组中的核心成分与核心靶点对接良好,动物实验表明核心药组能有效改善乳房形态,抑制乳腺增生。本研究初步揭示海洋中药治疗乳腺增生的用药规律及机制,为海洋中药治疗乳腺增生作用机制的深入研究奠定基础,同时为相关专利的申请提供参考。

关键词: 乳腺增生, 海洋药物, 数据挖掘, 网络药理学, 分子对接

Abstract:

Using data mining,network pharmacology and animal experiments to explore the medication patterns and mechanism of the marine Chinese medicine gruops in authorized patents in treatment of hyperplasia of mammary glands.A total of 157 authorized patents containing marine Chinese medicine were collected from 1993 to 2022.In these prescriptions,high-frequency marine Chinese medicines were Ostreae Concha,Sargassum,Laminariae Thallus Eckloniae Thallus,and high-frequency non-marine Chinese medicines were Bupleuri Radix,Angelicae Sinensis Radix,Prunellae Spica.High-frequency marine Chinese medicines can be grouped into three categories.The core group obtained by association rule analysis was Bupleuri Radix-Ostreae Concha-Angelicae Sinensis Radix.The analysis of network pharmacology showed that the core targets of Bupleuri Radix-Ostreae Concha-Angelicae Sinensis Radix group was TP53,AKT1,ALB and ESR1,the core components were quercetin,kaempferol,isorhamnetin and β-sitosterol,the treatment of the core group is closely related to P13K-ATK signal pathway.Molecular docking results suggest that the core components have strong binding ability to target proteins.Animal experiments showed that the core group can effectively improve breast morphology and inhibit breast hyperplasia.This study has preliminarily revealed the medication patterns and mechanism of traditional marine Chinese medicines in the treatment of hyperplasia of mammary glands,which can be used for the deeper study of its mechanism.It also provided reference for the application of related patents.

Key words: hyperplasia of mammary glands, marine medicine, data mining, network pharmacology, molecular docking

中图分类号:  R285