Characterization of the Active Ingredient and Prediction of the Potential Mechanism of Dahuoluo Pill via Mass Spectrometry with the Network Pharmacology Method

IF 2.3 3区化学 Q3 CHEMISTRY, ANALYTICAL

Journal of Analytical Methods in Chemistry Pub Date : 2023-11-07 DOI:10.1155/2023/8819534

Haoran Xu, Yuelin Bi, Xin Feng, Jiaqi Wang, Gengyuan Yu, Tonghua Zhang, Tianyi Li, Xuhua Gao, Runhua Liu, Yu Sun, Hao Wu, Linlin Fang, Chenning Zhang, Yikun Sun

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引用次数: 0

Abstract

The Dahuoluo pill (DHLP) is a classic Chinese patent medicine used to treat rheumatoid arthritis and other conditions. However, there has been no research on the chemical components of DHLP and the mechanisms by which it ameliorates rheumatoid arthritis. Hence, we analysed the chemical components of DHLP and the DHLP components absorbed in blood by using ultraperformance liquid chromatography-Q-exactive-orbitrap-mass spectrometry. We then used network pharmacology to predict the underlying mechanisms by which DHLP ameliorates rheumatoid arthritis. We identified 153 chemical compounds from DHLP, together with 27 prototype components absorbed in blood. We selected 48 of these compounds as potential active ingredients to explore the mechanism. These compounds are related to 88 significant pathways, which are linked to 18 core targets. This study preliminarily reveals the potential mechanisms by which DHLP ameliorates rheumatoid arthritis and provides a basis for further evaluation of the drug’s efficacy.

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网络药理学质谱法研究大活络丸的有效成分及作用机理

大活络丸(DHLP)是一种经典的中成药，用于治疗类风湿性关节炎和其他疾病。然而，关于DHLP的化学成分及其改善类风湿关节炎的机制尚未有研究。因此，我们采用超高效液相色谱- q -精确-轨道-质谱法分析了DHLP的化学成分和血液中吸收的DHLP成分。然后，我们使用网络药理学来预测DHLP改善类风湿关节炎的潜在机制。我们从DHLP中鉴定出153种化合物，以及27种被血液吸收的原型成分。我们选择了其中48种化合物作为潜在的有效成分来探索其作用机制。这些化合物与88个重要途径有关，这些途径与18个核心靶点有关。本研究初步揭示了DHLP改善类风湿关节炎的潜在机制，为进一步评价该药物的疗效提供了依据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Analytical Methods in Chemistry CHEMISTRY, ANALYTICAL-ENGINEERING, CIVIL

CiteScore

4.80

自引率

3.80%

发文量

审稿时长

6-12 weeks

期刊介绍： Journal of Analytical Methods in Chemistry publishes papers reporting methods and instrumentation for chemical analysis, and their application to real-world problems. Articles may be either practical or theoretical. Subject areas include (but are by no means limited to): Separation Spectroscopy Mass spectrometry Chromatography Analytical Sample Preparation Electrochemical analysis Hyphenated techniques Data processing As well as original research, Journal of Analytical Methods in Chemistry also publishes focused review articles that examine the state of the art, identify emerging trends, and suggest future directions for developing fields.