基于HPLC指纹图谱和网络药理学的石崖茶质量标志物(Q-Marker)预测  

Prediction of Q-Marker for leaves from Adinandra nitida based on HPLC fingerprint and network pharmacology

作　　者：皮振宇 李静[1] 何颂华 李振麟[3] 王伟[1] 赵晓芳[1] 罗雪菲[1] 冷静[1] 兰太进[1] PI Zhenyu;LI Jing;HE Songhua;LI Zhenlin;WANG Wei;ZHAO Xiaofang;LUO Xuefei;LENG Jing;LAN Taijin(Guangxi University of Chinese Medicine,Nanning 530200,China;Guangxi Institute For Food and Drug Control,Nanning 530021,China;Jiangsu Province Academy of Traditional Chinese,Nanjing 210028,China)

机构地区：[1]广西中医药大学,广西南宁530200 [2]广西壮族自治区食品药品检验所,广西南宁530021 [3]江苏省中医药研究院,江苏南京210028

出　　处：《药物评价研究》2024年第7期1529-1539,共11页Drug Evaluation Research

基　　金：广西自然科学基金项目(2016GXNSFBA380200);广西研究生教育创新计划项目(YCSW2023390);广西中医药大学高层次人才培育创新团队资助项目(2022B006)。

摘　　要：目的基于HPLC指纹图谱数据的化学模式识别方法和网络药理学技术,预测石崖茶潜在质量标志物(Q-Marker),为提升其药材质量标准提供参考。方法建立10批次广西不同产地石崖茶HPLC指纹图谱,对其进行化学模式识别分析,筛选不同批次间差异的主要标志性成分,并进行成分质谱鉴定;通过网络药理学对筛选鉴定出的成分构建“成分-核心靶点-通路”网络,分析预测石崖茶的Q-Marker,基于可测性原则对Q-Marker进行定量测定。结果不同批次石崖茶指纹图谱共标定出12个共有峰,经化学模式识别,筛选出批次间5个主要差异性成分,分别鉴定为山茶苷A、表儿茶素、儿茶素、槲皮苷、芹菜素。网络药理学分析提示5种差异成分直接相关靶点211个,其映射的KEGG信号通路显著富集在脂质与动脉粥样硬化、内分泌抵抗、甲状腺激素信号通路、人巨细胞病毒感染、卡波西肉瘤相关疱疹病毒感染、癌症的中心碳代谢等,映射的161个信号通路与石崖茶主要功效和现代药理作用密切相关。含量测定结果显示,不同批次石崖茶中山茶苷A、表儿茶素、儿茶素、槲皮苷和芹菜素质量分数分别为41.56~96.90、85.45~101.01、7.39~12.96、5.74~15.22、2.65~12.43 mg·g^(-1)。根据Q-Marker的五原则,初步预测山茶苷A、表儿茶素、儿茶素、槲皮苷、芹菜素为石崖茶的Q-Marker。结论初步预测了石崖茶的Q-Marker,为其药材质量标准的提升提供参考。Objective To predict potential Q-Markers for the leaves from Adinandra nitida using the chemical pattern recognition method of HPLC fingerprint data and network pharmacology techniques,so as to provide scientific basis for the quality evaluation of the leaves from A.nitida.Methods Ten batches of A.nitida leaf samples from different areas in Guangxi were collected,and the HPLC fingerprint of the leaves from A.nitida was established.Chemical pattern recognition analysis was employed to screen the major distinctive ingredients among different batches,and identify these ingredients by mass spectrometry.Utilizing network pharmacology,a"component-core target-pathway"network for the identified ingredients were constructed and analyzed to predict the potential Q-markers for the leaves from A.nitida.Results The fingerprint identified a total of 12 common peaks.Through chemical pattern recognition,five major distinctive ingredients were screened out between batches,including camelliaside A,epicatechin,catechin,quercitroside,and quercetin.Network pharmacology analysis indicated that those ingredients were associated with 221 targets and the signal pathways,which relate to the main effects and modern pharmacological actions of the leaves from A.nitida.The content determination results showed that the contents of camelliaside A,epicatechin,catechin,quercitroside,and quercetin in A.nitida were 41.56—96.90,85.45—101.01,7.39—12.96,5.74—15.22,and 2.65—12.43 mg·g^(-1),respectively.According to the five principles of Q-Markers,the preliminary prediction Q-Markers for the leaves from A.nitida.are camelliaside A,epicatechin,catechin,quercitroside,and quercetin.Conclusion This study preliminarily identified and predicted the Q-Markers for the leaves from A.nitida,providing a reference for improvement of its quality standard.

关 键 词：石崖茶 质量标志物 指纹图谱 化学模式识别分析 网络药理学 山茶苷A 表儿茶素 儿茶素 槲皮苷 芹菜素 

分 类 号：R284[医药卫生—中药学] R285.5[医药卫生—中医学]