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

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

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基于指纹和网络药理学的黄芪精液 Q 标记预测。
简介黄芪(Astragali Complanati),又名沙苑子,是一种常用的中药材,主要用于补肾壮阳、固精缩尿等症:建立黄芪精的UPLC指纹图谱,并通过网络药理学分析黄芪精的Q标记物:首先,建立了黄芪精的UPLC指纹图谱检测方法,并通过UPLC-MS/MS鉴定了共性峰。网络药理学构建了ACS特征成分的 "成分-靶标-途径 "网络关系,并预测了潜在的Q标记物:结果:ACS的UPLC指纹图谱共鉴定出24个常见峰,UPLC-MS/MS共鉴定出12个色谱峰。共筛选出 12 个 Q 标记候选成分。通过网络药理分析,推测出杨梅素 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、杨梅素-3-O-葡萄糖苷、白花蛇舌草苷、白花蛇舌草苷 B、白花蛇舌草苷、白花蛇舌草苷 6''-丙二酸酯、白花蛇舌草苷、鼠李糖苷 3-O-β-D-apiofuranosyl(1→2)-β-D-glucopyranoside 和 3-O-[5'''-O-阿魏酰-β-D-apiofuranosyl(1'''->2''')-β-D-吡喃葡萄糖基] 鼠李糖苷是 ACS 的 Q 标记。结论本研究建立的方法准确可靠、简单实用,可作为 ACS 质量检测的参考方法。网络药理学筛选出的 12 个 Q 标记可为 ACS 质量控制提供支持和参考。
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