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《天津医科大学学报》[ISSN:1006-8147/CN:12-1259/R]

卷:

31卷

期数:

2025年02期

页码:

99-104

栏目:

网络药理学专题

出版日期:

2025-03-20

文章信息/Info

Title:

Exploring the molecular mechanism of butin in the treatment of osteoporosis based on network pharmacology

文章编号:

1006-8147(2025)02-0099-07

作者:

刁寒¹; 2; 李申奥¹; 2; 郭杰²; 3; 李辉南²; 张颖²; 4; 5; 孙天威²

（1.天津中医药大学研究生院，天津301617；2.天津市人民医院脊柱外科，天津300121；3.天津医科大学研究生院，天津300070；4.天津中西医结合重点专科，天津300121；5.天津市康复医学研究所，天津300121）

Author(s):

DIAO Han¹; 2; LI Shen′ao¹; 2; GUO Jie ²; 3; LI Huinan²; ZHANG Ying²; 4; 5; SUN Tianwei²

（1.Tianjin University of Traditional Chinese Medicine Graduate School，Tianjin 301617，China；2.Department of Spine Surgery，Tianjin Municipal People′s Hospital，Tianjin 300121，China；3.Tianjin Medical University Graduate School，Tianjin 300070，China；4.Tianjin Key Specialty of Integrated，Traditional Chinese and Western Medicine，Tianjin 300070，China；5.Tianjin Institute of Rehabilitation，Tianjin 300070，China）

关键词:

紫铆素; 骨质疏松症; 网络药理学; 分子对接

Keywords:

butin; osteoporosis; network pharmacology; molecular docking

分类号:

R681.1

DOI:

-

文献标志码:

A

摘要:

目的：利用网络药理学探索紫铆素治疗骨质疏松症（OP）的分子机制。方法：通过Swiss Target Prediction数据库预测紫铆素的潜在靶点，并在GeneCards数据库中筛选与OP相关的靶点，最终获得60个交集靶点。构建蛋白-蛋白相互作用（PPI）网络，分析靶点间的相互关系。进行基因本体（GO）富集分析和京都基因与基因组百科全书（KEGG）信号通路富集分析，揭示靶点的生物过程、细胞组分和分子功能。采用分子对接的方法验证紫铆素与核心靶点的结合情况。结果：筛选得到紫铆素与OP共有60个交集靶点，通过PPI网络得到丝氨酸/苏氨酸激酶1（Akt1）、糖原合酶激酶3β（GSK3β）、基质金属蛋白酶9（MMP9）、过氧化物酶体增殖物激活受体γ（PPARγ）、类固醇受体辅激活因子（SRC）、雌激素受体1（ESR1）、B细胞淋巴瘤2（BCL2）、低氧诱导因子1A（HIF1A）蛋白是紫铆素治疗骨质疏松的核心靶点。这些靶点蛋白在蛋白质自磷酸化、蛋白质磷酸化、肽基酪氨酸磷酸化及内分泌抵抗、磷脂酰肌醇3激酶-丝氨酸/苏氨酸激酶（PI3K-Akt）信号通路、表皮生长因子受体（EGFR）酪氨酸激酶抑制剂耐药性、雌激素信号通路途径中发挥关键作用。分子对接结果进一步确认紫铆素与Akt1之间存在稳定结合。结论：紫铆素通过多靶点和多通路机制治疗OP。

Abstract:

Objective：To explore the molecular mechanism of butin in the treatment of osteoporosis using network pharmacology. Methods：Potential targets of butin were predicted using the Swiss Target Prediction database，and osteoporosis-related targets were screened from the GeneCards database，resulting in 60 intersection targets. A protein-protein interaction （PPI） network was constructed to analyze the relationships among the targets. Gene Ontology （GO） enrichment analysis and Kyoto Encyclopedia of Genes and Genomes （KEGG） pathway enrichment analysis was performed to reveal the biological processes，cellular components，and molecular functions of the targets. Molecular docking was employed to verify the binding affinity between butin and the core targets. Results：A total of 60 intersection targets of butin and osteoporosis were screened. Through the PPI network，proteins such as serine/threonine kinase 1 （Akt1），glycogen synthase kinase 3 β （GSK3 β），matrix metalloproteinase 9 （MMP9），peroxisome proliferator activated receptor r （PPAR r），steroid receptor coactivator （SRC），estrogen receptor 1 （ESR1），B-cell lymphoma 2 （BCL2），and hypoxia inducible factor 1A （HIF1A）were obtained as the core targets of butin in the treatment of osteoporosis. These target proteins played key roles in pathways such as protein autophosphorylation，protein phosphorylation，peptidyl tyrosine phosphorylation，endocrine resistance，the PI3K-Akt signaling pathway，EGFR tyrosine kinase inhibitor resistance，and estrogen signaling pathways.Molecular docking results further confirmed a stable binding between butin and Akt1. Conclusion：Butin exerts its therapeutic effects on osteoporosis through multiple targets and pathways.

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备注/Memo

备注/Memo:

基金项目:天津市卫生健康委员会科技项目重点学科专项（TJWJ2022XK016）；天津市应用基础研究重点项目（22JCZDJC00250）
作者简介:刁寒（1999-），女，硕士在读，研究方向：中医药防治骨质疏松；通信作者：孙天威，E-mail：billsuntw@163.com。

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更新日期/Last Update: 2025-03-20