基于网络药理学的栀子与水栀子比较分析  

Comparative Analysis of Gardenia jasminoides Ellis and G.jasminoides var.radicans Makino Based on Network Pharmacology

作　　者：侯子雨 孙乐[1,2] 曾铁鑫[1,2] 黄佳丽 许利嘉 刘海波[1,2] 董政起[1,2] HOU Ziyu;SUN Le;ZENG Tiexin;HUANG Jiali;XU Lijia;LIU Haibo;DONG Zhengqi(Institute of Medicinal Plant Development,Chinese Academy of Medical Sciences&Peking Union Medical College,Beijing 100193,China;Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine,Ministry of Education,Beijing 100193,China)

机构地区：[1]中国医学科学院北京协和医学院药用植物研究所,北京100193 [2]教育部中草药物质基础与资源利用重点实验室,北京100193

出　　处：《中国现代中药》2025年第4期718-728,共11页Modern Chinese Medicine

基　　金：中国医学科学院医学与健康科技创新项目(2022-I2M-1-018)。

摘　　要：目的:通过网络药理学方法比较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,通过中药系统药理学数据库与分析平台(TCMSP)和SwissADME平台筛选栀子与水栀子的主要活性成分,结合STRING数据库预测其靶点,并通过基因本体(GO)和京都基因与基因组百科全书(KEGG)分析探讨其在治疗黄疸病和肝炎中的潜在机制。利用分子对接分析对比主要成分与相关靶标的结合情况。以脂多糖(LPS)诱导RAW264.7细胞制备炎症模型,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,采用细胞计数试剂盒-8(CCK-8)法测定细胞活力,Griess法检测一氧化氮(NO)产生,酶联免疫吸附测定(ELISA)法测定肿瘤坏死因子-α(TNF-α)、白细胞介素-6(IL-6)和IL-1β水平,评估其抗炎效果。结果:在治疗黄疸病和肝炎方面,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RAW264.7细胞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,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抗炎活性。研究结果为水栀子的开发提供了新的视角和参考。Objective:This study aims to compare the composition and mechanisms of Gardenia jasminoides Ellis and G.jasminoides var.radicans Makino through network pharmacology to comprehensively explore the medicinal potential of G.jasminoides radicans.Methods:The main active constituents of G.jasminoides and G.jasminoides var.radicans were screened via TCMSP and SwissADME through network pharmacology,with target predicted through STRING database.In addition,the potential mechanism of it in treating jaundice and hepatitis was analyzed through gene ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG).Molecular docking was used to compare the binding affinities of major constituents with related targets.Additionally,in an LPS-induced RAW264.7 cell inflammation model,after different concentrations of geniposide,genipin,crocin,crocinⅡand crocetin were added,CCK-8 was used to assess cell viability,NO production was detected by Griess,and TNF-α,IL-6,and IL-1βlevels were tested by ELISA to evaluate anti-inflammatory effects.Results:G.jasminoides Ellis and G.jasminoides var.radicans Makino exhibited multiple common targets for jaundice and hepatitis,with GO and KEGG analyses revealing high similarities and associations with inflammation-related pathways.Five shared compounds geniposide,genipin,crocin,crocin,and crocetin identified by molecular docking and toxicity prediction showed significant pro-proliferative effects on LPS-induced RAW264.7 cells and notable inhibition of the inflammatory factors NO,TNF-α,IL-6,and IL-1β.Conclusion:Comparative analysis through network pharmacology reveals that G.jasminoides Ellis and G.jasminoides var.radicans Makino share similar constituents and mechanisms in treating jaundice and hepatitis.Among them,shared constituents geniposide,genipin,crocin,crocinⅡ,and crocetin demonstrate significant therapeutic potential.These findings provide new perspectives and reference for the development of G.jasminoides var.radicans Makino.

关 键 词：栀子 水栀子 网络药理学 分子对接 抗炎活性 

分 类 号：R285[医药卫生—中药学]