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基于超高效液相色谱-四极杆-轨道阱-高分辨质谱联用（UPLC-Q-Orbitrap-HRMS）和网络药理学分析的人参黄酒抗酒精性肝病生物标志物的鉴定与化学表征

Identification and chemical profiling of anti-alcoholic liver disease biomarkers of ginseng Huang jiu using UPLC-Q-Orbitrap-HRMS and network pharmacology-based analyses.

作者信息

Wu Yongxi, Cai Yongyu, Ma Liting, Li Fangtong, Zhang Meiyu, Wang Yizhu, Zheng Fei, Pi Zifeng, Yue Hao

机构信息

Changchun University of Chinese Medicine, Changchun, China.

出版信息

Front Nutr. 2022 Aug 12;9:978122. doi: 10.3389/fnut.2022.978122. eCollection 2022.

DOI:10.3389/fnut.2022.978122
PMID:36034901
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9412739/
Abstract

This study investigated the mechanism of characteristic non-volatile organic compounds (NVOCs) from ginseng Huang jiu (GH) in the treatment of alcoholic liver disease through UPLC-Q-Orbitrap-HRMS and network pharmacological analyses. Changes in NVOC contents in ginseng Huang jiu and ginseng-soaked wine fermented by different processing technologies were analyzed through liquid chromatography-mass spectrometry (LC-MS). A total of 96 ginsenosides were identified in ginseng Huang jiu throughout the fermentation process, which included 37 protopanaxadiol-type ginsenosides, 47 protopanaxatriol-type ginsenosides, and 4 oleanolic acid-type ginsenosides. Orthogonal partial least squares-discriminant analysis (OPLS-DA) revealed that 20(R)-Rg2, Gypenoside XVII, 20(S)-Rf3, CK, Rg5, Rh2, and other rare ginsenosides in ginseng Huang jiu could be the potential index for determining ginseng Huang jiu. In addition, ginseng Huang jiu could improve alcoholic liver disease by regulating the GSTP1, HRAS, AKR1B1, GSTA1, Androgen receptor (AR), GSR, and LDHB genes through bioinformatics analysis. This study provides new insights into improving the industrial production of ginseng Huang jiu and treating alcoholic liver disease with medicinal and food products.

摘要

本研究通过超高效液相色谱-四极杆-轨道阱-高分辨质谱（UPLC-Q-Orbitrap-HRMS）和网络药理学分析，探究人参黄酒（GH）中特征性非挥发性有机化合物（NVOCs）治疗酒精性肝病的机制。通过液相色谱-质谱联用（LC-MS）分析不同加工工艺发酵的人参黄酒和人参浸酒中NVOC含量的变化。在人参黄酒的整个发酵过程中共鉴定出96种人参皂苷，其中包括37种原人参二醇型人参皂苷、47种原人参三醇型人参皂苷和4种齐墩果酸型人参皂苷。正交偏最小二乘法判别分析（OPLS-DA）显示，人参黄酒中的20（R）-Rg2、绞股蓝皂苷XVII、20（S）-Rf3、CK、Rg5、Rh2等稀有皂苷可能是鉴定人参黄酒的潜在指标。此外，通过生物信息学分析，人参黄酒可通过调节GSTP1、HRAS、AKR1B1、GSTA1、雄激素受体（AR）、GSR和LDHB基因来改善酒精性肝病。本研究为改进人参黄酒的工业化生产以及利用药食同源产品治疗酒精性肝病提供了新的见解。

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