目的 基于 HPLC指紋圖譜數(shù)據(jù)的化學模式識別方法和網(wǎng)絡藥理學技術 ，預測石崖茶潛在質(zhì)量標志物 （Q-Marker），為提升其藥材質(zhì)量標準提供參考。方法 建立10批次廣西不同產(chǎn)地石崖茶HPLC指紋圖譜，對其進行化學模式識別分析，篩選不同批次間差異的主要標志性成分，并進行成分質(zhì)譜鑒定；通過網(wǎng)絡藥理學對篩選鑒定出的成分構建“成分-核心靶點-通路”網(wǎng)絡，分析預測石崖茶的Q-Marker，基于可測性原則對Q-Marker進行定量測定。結果 不同批次石崖茶指紋圖譜共標定出12個共有峰，經(jīng)化學模式識別，篩選出批次間5個主要差異性成分，分別鑒定為山茶苷A、表兒茶素、兒茶素、槲皮苷、芹菜素。網(wǎng)絡藥理學分析提示5種差異成分直接相關靶點211個，其映射的KEGG信號通路顯著富集在脂質(zhì)與動脈粥樣硬化、內(nèi)分泌抵抗、甲狀腺激素信號通路、人巨細胞病毒感染、卡波西肉瘤相關皰疹病毒感染、癌癥的中心碳代謝等，映射的161個信號通路與石崖茶主要功效和現(xiàn)代藥理作用密切相關。含量測定結果顯示，不同批次石崖茶中山茶苷 A、表兒茶素、兒茶素、槲皮苷和芹菜素質(zhì)量分數(shù)分別為 41.56～96.90、85.45～101.01、7.39～12.96、5.74～15.22、2.65～12.43 mg·g^-1。根據(jù)Q-Marker的五原則，初步預測山茶苷A、表兒茶素、兒茶素、槲皮苷、芹菜素為石崖茶的Q-Marker。結論 初步預測了石崖茶的Q-Marker，為其藥材質(zhì)量標準的提升提供參考。

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.

R284；R285.5

廣西自然科學基金項目（2016GXNSFBA380200）；廣西研究生教育創(chuàng)新計劃項目（YCSW2023390）；廣西中醫(yī)藥大學高層次人才培育創(chuàng)新團隊資助項目（2022B006）