基于网络药理学的山栀子与水栀子的比较分析
投稿时间:2024-09-13  修订日期:2024-11-11   点此下载全文
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作者中文名作者英文名单位中文名单位英文名E-Mail
侯子雨 HOU Ziyu 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
1204532433@qq.com 
孙乐 SUN Le 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
sunle@implad.ac.cn 
曾铁鑫 ZENG Tiexin 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
631526803@qq.com 
黄佳丽 HUANG Jiali 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
jialihappe@126.com 
许利嘉 XU Lijia 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
xulijia@hotmail.com 
刘海波 LIU Haibo 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
hbliu@implad.ac.cn788 
董政起* DONG Zhengqi 北京协和医学院药用植物研究所 Institute of Medicinal Plant Development, Chinese Academy of Medical Sciences &
Peking Union Medical College
zqdong@implad.ac.cn 
基金项目:中国医学科学院医学与健康科技创新项目
中文摘要:目的:本研究旨在通过网络药理学方法比较山栀子与水栀子的成分及作用机制,全面探讨水栀子的药用潜力。方法:采用网络药理学方法,通过TCMSP数据库和SwissADME平台筛选山栀子与水栀子的主要活性成分,结合STRING数据库预测其靶点,并通过GO和KEGG分析探讨其在治疗黄疸和肝炎中的潜在机制。随后,利用分子对接分析对比主要成分与相关靶标的结合情况。此外,在细胞实验中,以LPS诱导RAW 264.7细胞建立炎症模型,加入不同浓度的栀子苷、京尼平、西红花苷、西红花苷 II 和藏红花酸,采用CCK-8法测定细胞活力,Griess法检测NO产生,ELISA法测定TNF-α、IL-6 和 IL-1β水平,评估其抗炎效果。结果:在治疗黄疸和肝炎方面,山栀子与水栀子展现了多个共同靶点,GO和KEGG分析显示出较高相似性,并均指向炎症相关通路。通过毒性预测、分子对接筛选出山栀子与水栀子共有的5个化合物栀子苷、京尼平、西红花苷、西红花苷 II 和藏红花酸对LPS诱导的RAW 264.7细胞中表现出显著的促增殖效应,并对炎症因子NO、TNF-α、IL-6和IL-1β具有显著的抑制作用。结论:通过网络药理学比较分析发现山栀子与水栀子在治疗黄疸病和肝炎方面具有相似的物质基础和作用机制。其中,共有成分栀子苷、京尼平、西红花苷、西红花苷 II 和藏红花酸表现出显著的治疗潜力。研究结果为水栀子的开发提供了新的视角和参考。
中文关键词:山栀子  水栀子  网络药理学  分子对接  抗炎活性
 
Comparative Analysis of Gardenia. jasminoides Ellis and G. jasminoides var. Radicans Makino Based on Network Pharmacology
Abstract:Objective: This study aims to compare the components and mechanisms of G. jasminoides Ellis and G. jasminoides var. Radicans Makino through network pharmacology to comprehensively explore the medicinal potential of Shuizhizi. Methods: Using network pharmacology, the main active components of G. jasminoides Ellis and G. jasminoides var. Radicans Makino were screened via TCMSP and SwissADME, with target prediction through STRING and pathway analysis by GO and KEGG to explore potential mechanisms in treating jaundice and hepatitis. Molecular docking compared the binding affinities of key components with related targets. Additionally, an LPS-induced RAW 264.7 cell inflammation model was used to test different concentrations of geniposide, genipin, crocin, crocin II, and crocetin. Cell viability was assessed by CCK-8, NO production by Griess, and TNF-α, IL-6, and IL-1β levels by ELISA to evaluate anti-inflammatory effects.Results: G. jasminoides Ellis and G. jasminoides var. Radicans Makino exhibited common targets for jaundice and hepatitis, with GO and KEGG analyses revealing high similarities and associations with inflammation-related pathways. Toxicity prediction and molecular docking identified five shared compounds—geniposide, genipin, crocin, crocin II, and crocetin—that showed significant proliferative effects on LPS-induced RAW 264.7 cells and notable inhibition of the inflammatory factors NO, TNF-α, IL-6, and IL-1β. Conclusion: Comparative analysis through network pharmacology revealed that G. jasminoides Ellis and G. jasminoides var. Radicans Makino share similar components and mechanisms in treating jaundice and hepatitis. Among them, geniposide, genipin, crocin, crocin II, and crocetin demonstrated significant therapeutic potential. These findings provide new perspectives and references for the development of G. jasminoides var. Radicans Makino.
keywords:Gardenia jasminoides Ellis  G. jasminoides var. Radicans Makino  network pharmacology  molecular docking  anti-inflammatory activity
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