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基于指纹图谱和网络药理学的沙苑子Q-标志物预测

Q-Marker Prediction of Astragali Complanati Semen Based on Fingerprint and Network Pharmacology.

作者信息

Jia Xiaozhou, Lv Weisheng, Wei Cuijie, Liang Yueyi, Yang Jie, Hou Xuxuan, Li Zhenyu, Chen Xiangdong, Wei Mei, Sun Dongmei

机构信息

Guangdong Yifang Pharmaceutical Co. Ltd, Guangdong Provincial Key Laboratory of Traditional Chinese Medicine Formula, Guangdong, Foshan 528244, China.

Guangzhou University of Traditional Chinese Medicine, Guangdong, Guangzhou 510400, China.

出版信息

J AOAC Int. 2025 Jan 1;108(1):78-89. doi: 10.1093/jaoacint/qsae077.

Abstract

BACKGROUND

Astragali Complanati, known in Chinese as Shayuanzi, is a common medicinal material in traditional Chinese medicine, mainly used for tonifying the kidney, supporting yang, consolidating essence, reducing urine, and other diseases.

OBJECTIVE

The ultra performance liquid chromatography (UPLC) fingerprint of Astragali Complanati Semen (ACS) was established, and the Q-markers of ACS were analyzed by network pharmacology.

METHODS

First, a UPLC fingerprint detection method was established for ACS, and the common peaks were identified by UPLC-MS/MS. The "component-target-pathway" network relationships of characteristic components of ACS were constructed by network pharmacology, and the potential quality markers (Q-markers) were predicted.

RESULTS

A total of 24 common peaks were identified from the UPLC fingerprint of ACS, and 12 chromatographic peaks were identified by UPLC-MS/MS. A total of 12 Q-markers candidate components were screened out. Through network pharmacological analysis, it is predicted that myricetin 3-O-β-D-xylopyranosyl-(1-2)-[α-L-rhamnopyranosyl-(1-6)]-β-D-glucopyranoside, myricetin 3-O-β-D-xylopyranosyl(1-2)-β-D-glucopyranoside, myricetin 3-β-D-glucopyranoside, cannabiscitrin, laricitrin-3-O-glucoside, leucoside, complanatoside B, complanatuside, complanatuside 6''-malonate, clycosin, rhamnocitrin 3-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside, and 3-O-[5'''-O-feruloyl-beta-D-apiofuranosyl(1'''->2'')-beta-D-glucopyranosyl] rhamnocitrin are the Q-markers of ACS.

CONCLUSION

The method established in this study was accurate, reliable, simple, and practical and could be used as a reference method for ACS quality detection. Twelve Q-markers selected by network pharmacology could provide support and references for ACS QC.

摘要

背景

沙苑子为豆科植物扁茎黄芪的干燥成熟种子,是一味常用中药,主要用于补肾助阳,固精缩尿等病症。

目的

建立沙苑子超高效液相色谱指纹图谱,并采用网络药理学方法分析其Q-标志物。

方法

首先建立沙苑子超高效液相色谱指纹图谱检测方法,并采用超高效液相色谱-串联质谱技术对共有峰进行指认;运用网络药理学方法构建沙苑子特征成分的“成分-靶点-通路”网络关系,预测潜在的质量标志物(Q-标志物)。

结果

沙苑子超高效液相色谱指纹图谱共标定24个共有峰,通过超高效液相色谱-串联质谱技术指认了其中12个色谱峰,共筛选出12个Q-标志物候选成分;通过网络药理学分析预测杨梅素3-O-β-D-吡喃木糖基-(1-2)-[α-L-吡喃鼠李糖基-(1-6)]-β-D-吡喃葡萄糖苷、杨梅素3-O-β-D-吡喃木糖基(1-2)-β-D-吡喃葡萄糖苷、杨梅素3-β-D-吡喃葡萄糖苷、大麻素、落叶松脂素-3-O-葡萄糖苷、柳穿鱼苷、沙苑子苷B、沙苑子苷、沙苑子苷6''-丙二酸酯、环黄芪醇、鼠李柠檬素3-O-β-D-阿糖呋喃糖基(1→2)-β-D-吡喃葡萄糖苷、3-O-[5'''-O-阿魏酰基-β-D-阿糖呋喃糖基(1'''->2'')-β-D-吡喃葡萄糖基]鼠李柠檬素为沙苑子的Q-标志物。

结论

本研究建立的方法准确、可靠、简便、实用,可作为沙苑子质量检测的参考方法;通过网络药理学筛选出的12个Q-标志物可为沙苑子的质量控制提供依据和参考。

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