RuAn Tablets Relieve Mammary Gland Hyperplasia by Regulating PGE2 Synthesis.

IF 1.7 4区 医学 Q4 BIOCHEMICAL RESEARCH METHODS
Ming Chen, Wenjian Huang, Yongyan Huang, Mushi Chen, Guobiao Yan
{"title":"RuAn Tablets Relieve Mammary Gland Hyperplasia by Regulating PGE2 Synthesis.","authors":"Ming Chen, Wenjian Huang, Yongyan Huang, Mushi Chen, Guobiao Yan","doi":"10.2174/0113862073391606250728082957","DOIUrl":null,"url":null,"abstract":"<p><strong>Introduction: </strong>RuAn Tablets (RATs) are a traditional Chinese formulation used for the treatment of mammary gland hyperplasia (MGH), one of the most prevalent gynecological diseases. However, the complexity of RATs composition has hindered the elucidation of the mechanism.</p><p><strong>Methods: </strong>In this study, we employed an integrated approach combining ultra-high performance liquid chromatography-mass spectrometry (UHPLC-MS), network pharmacology, and experimental validation to identify the active components of RATs and explore their potential mechanisms in alleviating MGH.</p><p><strong>Results: </strong>Through UHPLC-MS analysis and database screening (SymMap and TCMSP), four active compounds were screened, including Betulinic acid (BA), Dioscin, Icariside I, and Neohesperidin. These compounds were predicted to interact with 321 potential targets, of which 22 were identified as key targets for RATs in MGH intervention. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses revealed that these targets were primarily associated with prostaglandin synthesis and metabolism, particularly the synthesis of prostaglandin E2 (PGE2). Molecular docking studies demonstrated strong binding affinities between the active compounds and core target proteins, including PTGS2, EGFR, and TP53. Experimental validation further confirmed that RATs significantly reduced PGE2 levels in mammary proliferating cells by over 60%.</p><p><strong>Discussion: </strong>Integrating findings from network pharmacology and experimental validation suggests that RATs exert their therapeutic effects on MGH primarily by regulating PGE2 synthesis.</p><p><strong>Conclusion: </strong>In summary, this study provides a comprehensive understanding of the molecular mechanisms underlying RATs' efficacy and highlights their potential as a therapeutic agent for MGH.</p>","PeriodicalId":10491,"journal":{"name":"Combinatorial chemistry & high throughput screening","volume":" ","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2025-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Combinatorial chemistry & high throughput screening","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2174/0113862073391606250728082957","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
引用次数: 0

Abstract

Introduction: RuAn Tablets (RATs) are a traditional Chinese formulation used for the treatment of mammary gland hyperplasia (MGH), one of the most prevalent gynecological diseases. However, the complexity of RATs composition has hindered the elucidation of the mechanism.

Methods: In this study, we employed an integrated approach combining ultra-high performance liquid chromatography-mass spectrometry (UHPLC-MS), network pharmacology, and experimental validation to identify the active components of RATs and explore their potential mechanisms in alleviating MGH.

Results: Through UHPLC-MS analysis and database screening (SymMap and TCMSP), four active compounds were screened, including Betulinic acid (BA), Dioscin, Icariside I, and Neohesperidin. These compounds were predicted to interact with 321 potential targets, of which 22 were identified as key targets for RATs in MGH intervention. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses revealed that these targets were primarily associated with prostaglandin synthesis and metabolism, particularly the synthesis of prostaglandin E2 (PGE2). Molecular docking studies demonstrated strong binding affinities between the active compounds and core target proteins, including PTGS2, EGFR, and TP53. Experimental validation further confirmed that RATs significantly reduced PGE2 levels in mammary proliferating cells by over 60%.

Discussion: Integrating findings from network pharmacology and experimental validation suggests that RATs exert their therapeutic effects on MGH primarily by regulating PGE2 synthesis.

Conclusion: In summary, this study provides a comprehensive understanding of the molecular mechanisms underlying RATs' efficacy and highlights their potential as a therapeutic agent for MGH.

阮片通过调节PGE2合成减轻乳腺增生。
简介:阮片(RATs)是一种中药制剂,用于治疗乳腺增生症(MGH),这是最常见的妇科疾病之一。然而,rat组成的复杂性阻碍了其机制的阐明。方法:采用超高效液相色谱-质谱(UHPLC-MS)、网络药理学和实验验证相结合的方法,鉴定大鼠的有效成分,并探讨其缓解MGH的潜在机制。结果:通过UHPLC-MS分析和数据库筛选(SymMap和TCMSP),筛选出白桦酸(BA)、薯蓣皂苷(Dioscin)、Icariside I和新橙皮苷(Neohesperidin) 4种活性化合物。这些化合物预计与321个潜在靶点相互作用,其中22个被确定为大鼠干预MGH的关键靶点。基因本体(GO)和京都基因与基因组百科全书(KEGG)富集分析显示,这些靶点主要与前列腺素的合成和代谢有关,尤其是前列腺素E2 (PGE2)的合成。分子对接研究表明,活性化合物与核心靶蛋白(包括PTGS2、EGFR和TP53)具有很强的结合亲和力。实验验证进一步证实,大鼠可显著降低乳腺增殖细胞中PGE2水平,降幅超过60%。讨论:综合网络药理学研究结果和实验验证表明,大鼠主要通过调节PGE2合成来发挥其对MGH的治疗作用。结论:总之,本研究提供了对大鼠疗效的分子机制的全面理解,并突出了它们作为MGH治疗剂的潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
3.10
自引率
5.60%
发文量
327
审稿时长
7.5 months
期刊介绍: Combinatorial Chemistry & High Throughput Screening (CCHTS) publishes full length original research articles and reviews/mini-reviews dealing with various topics related to chemical biology (High Throughput Screening, Combinatorial Chemistry, Chemoinformatics, Laboratory Automation and Compound management) in advancing drug discovery research. Original research articles and reviews in the following areas are of special interest to the readers of this journal: Target identification and validation Assay design, development, miniaturization and comparison High throughput/high content/in silico screening and associated technologies Label-free detection technologies and applications Stem cell technologies Biomarkers ADMET/PK/PD methodologies and screening Probe discovery and development, hit to lead optimization Combinatorial chemistry (e.g. small molecules, peptide, nucleic acid or phage display libraries) Chemical library design and chemical diversity Chemo/bio-informatics, data mining Compound management Pharmacognosy Natural Products Research (Chemistry, Biology and Pharmacology of Natural Products) Natural Product Analytical Studies Bipharmaceutical studies of Natural products Drug repurposing Data management and statistical analysis Laboratory automation, robotics, microfluidics, signal detection technologies Current & Future Institutional Research Profile Technology transfer, legal and licensing issues Patents.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信