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

Q-Marker Prediction Analysis of Alpiniae Officinarum Rhizoma based on Network Pharmacology and HPLC Fingerprint

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维普
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中文摘要：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.

外文摘要：Objective:To predict and analyze quality marker(Q-Marker)of Alpiniae Officinarum Rhi-zoma(AOR)extract by combining fingerprint spectra and network pharmacology.Methods:High per-formance liquid chromatography(HPLC)was used to analyze the components of AOR extract.Similar-ity 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 phar-macological analysis were conducted for the selected Q-Marker candidate components,and a"compo-nent-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 differ-ent producing areas,and the samples from Yunnan,Guangdong and Guangxi were not classified ac-cording 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 ac-tion mechanism.

外文关键词：

Alpiniae Officinarum RhizomaQuality MarkerNetwork PharmacologyFingerprint spectraChemical composition

作者：

赖祉妃、许远航、邓敏贞、周中流、温镇榕、黄丽平

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作者单位：

岭南师范学院,广东湛江 524048

广州中医院广州中医药大学第二附属医院,广东广州 510120

关键词：

高良姜质量标志物网络药理学指纹图谱化学成分

基金：

国家自然科学基金国家自然科学基金燕岭优秀青年教师培养计划广东省重点学科科研项目中国博士后科学基金面上项目广东省中医药局科研项目岭南师范学院科研项目"攀登计划"专项广东省普通高等学校特色创新类项目

项目编号：

3190029781904104YL202002102019-GDXK-00252021M69075920211203ZL1801pdjh2023b03272023KTSCX069

出版年：

2024

DOI：

10.3969/j.issn.1006-9690.2024.04.002

中国野生植物资源

中华全国供销合作总社南京野生植物综合利用研究院

中国野生植物资源

影响因子：0.667

ISSN：1006-9690

年,卷(期)：2024.43(4)

参考文献量33