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基于HPLC指纹图谱和网络药理学的高良姜质量标志物预测分析 被引量:1

Q-Marker Prediction Analysis of Alpiniae Officinarum Rhizoma based on Network Pharmacology and HPLC Fingerprint
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摘要 目的:将指纹图谱与网络药理学相结合预测分析高良姜的质量标志物(Q-Marker)。方法:采用高效液相色谱法(HPLC)对高良姜进行成分分析,对20批高良姜提取物成分进行相似度评价、聚类分析和主成分分析,筛选高良姜提取物中Q-Marker候选成分;对筛选的Q-Marker候选成分进行靶点收集和网络药理学分析,构建“成分-靶点-通路”网络,并预测高良姜提取物的Q-Marker。结果:20批高良姜指纹图谱相似度集中在0.952~1.000范围,提示不同产地和批次的高良姜提取物整体组成上具有一致性;聚类分析和主成分分析显示海南的高良姜样品聚类趋势比较一致,云南、广东和广西的高良姜未按产地归类,不同产地的高良姜在成分上存在着差异,说明产地只是高良姜质量的影响因素之一。根据HPLC共有成分以及聚类分析和主要成分分析,得到2个Q-Marker候选成分,分别为高良姜素和槲皮素。经网络药理学分析筛选6个关键活性成分,6个关键要点和21条通路。结论:本研究初步预测槲皮素、山奈酚和高良姜素为高良姜的Q-Marker,为高良姜的质量控制予与参考,同时也为高良姜功效关联物质的研究及作用机制的阐释奠定了基础。 Objective:To predict and analyze quality marker(Q-Marker)of Alpiniae Officinarum Rhizoma(AOR)extract by combining fingerprint spectra and network pharmacology.Methods:High performance liquid chromatography(HPLC)was used to analyze the components of AOR extract.Similarity evaluation,cluster analysis and principal component analysis were performed on 20 batches of AOR extract,and Q-Marker candidate components were screened.Target collection and network pharmacological analysis were conducted for the selected Q-Marker candidate components,and a"component-target-pathway"network was constructed,and Q-Marker was predicted AOR extract.Results:The fingerprint spectra similarity of 20 batches of AOR was the range of 0.952 to 1.000,suggesting that the overall composition of extracts from different producing areas and batches was consistent.The cluster analysis and principal component analysis showed that the clustering trend of AOR samples from Hainan was consistent,but there were differences in the composition of AOR samples from different producing areas,and the samples from Yunnan,Guangdong and Guangxi were not classified according to the producing areas,indicating that the producing area was only one of the factors affecting the quality of AOR.Two Q-Marker candidates,galangin and quercetin.were obtained based on HPLC common components and cluster analysis,Six key active ingredients,six key targets and twenty-one network pharmacological analysis.Conclusions:In this study,quercetin,kaempferol and galangin were predicted to be Q-Marker of AOR,which provided a reference for quality control of AOR,and also laid a foundation for the study of efficacy related substances of AOR and the explanation of its action mechanism.
作者 赖祉妃 许远航 邓敏贞 周中流 温镇榕 黄丽平 Lai Zhifei;Xu Yuanhang;Deng Minzhen;Zhou Zhongliu;Wen Zhenrong;Huang Liping(Lingnan Normal University,Zhanjiang 524048,China;The Second Affiliated Hospital of Guangzhou University of Chinese Medicine,Guangdong Provincial Hospital of Chinese Medicine,Guangzhou 510120,China)
出处 《中国野生植物资源》 CSCD 2024年第4期10-21,共12页 Chinese Wild Plant Resources
基金 国家自然科学基金项目(31900297,81904104) 燕岭优秀青年教师培养计划项目(YL20200210) 广东省重点学科科研项目(2019-GDXK-0025) 中国博士后科学基金面上资助项目(2021M690759) 广东省中医药管理局科研项目(20211203) 岭南师范学院科学研究项目(ZL1801) “攀登计划”专项(pdjh2023b0327) 广东省普通高校特色创新类项目(2023KTSCX069)。
关键词 高良姜 质量标志物 网络药理学 指纹图谱 化学成分 Alpiniae Officinarum Rhizoma Quality Marker Network Pharmacology Fingerprint spectra Chemical composition
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