Revealing the Active Components and Therapeutic Targets of Sanao Decoction against Chronic Obstructive Pulmonary Disease Using Quantitative Analysis of Multi-Components by Single Marker and Network Pharmacology.

IF 1.5 4区 化学 Q4 BIOCHEMICAL RESEARCH METHODS Journal of chromatographic science Pub Date : 2025-01-14 DOI:10.1093/chromsci/bmaf002
Wanli Ji, Jiahong Wang, Yan Huo, Cheng Hu, Yifan Zhang
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Abstract

As a traditional Chinese medicine, Sanao decoction (SAD) has been used to treat chronic obstructive pulmonary disease (COPD) for multi-years. However, the potential mechanism and targets for its effects of SAD remain unknown. The 94 components of SAD were identified by UPLC-LTQ-Orbitrap MS. Meanwhile, the quantitative analysis of multi-components by single marker (QAMS) method was used to control the quality of SAD, including ephedrine hydrochloride, amygdalin, liquiritin, liquiritigenin, glycyrrhizic acid and glycyrrhetinic acid. The method was strictly validated with recovery (90.0-110.0%), precision [relative standard deviation (RSD), 0.79-2.01%], stability (RSD, 1.84-2.64%), repeatability (RSD, 0.45-3.03%) and relative correction factors (RSD, 0.28-2.67%), respectively. All the compounds showed good linearities (R2 > 0.999). Subsequently, 37 target proteins of SAD in the treatment of COPD were screened. The "Compounds-Targets" interaction and protein-protein interaction network found that TNF-α, IL-6 and VEGFA may act a crucial role in the treatment of COPD by SAD. Molecular docking demonstrated that TNF-α had good affinity with the main components of SAD. A strategy of QAMS and network pharmacology was a novel method to assess the quality control of SAD and uncover the targets and potential mechanism of SAD in the treatment of COPD.

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单标记多组分定量分析及网络药理学揭示三脑汤治疗慢性阻塞性肺疾病的有效成分及治疗靶点。
作为一种中药,三脑汤治疗慢性阻塞性肺疾病(COPD)已有多年的历史。然而,其作用于SAD的潜在机制和靶点尚不清楚。采用UPLC-LTQ-Orbitrap质谱法对其94种成分进行鉴定,并采用多组分单标记定量分析(QAMS)法对其进行质量控制,主要成分为盐酸麻黄碱、苦杏仁苷、甘草苷、甘草原素、甘草酸和甘草次酸。以回收率(90.0 ~ 110.0%)、精密度(相对标准偏差(RSD) 0.79 ~ 2.01%)、稳定性(RSD 1.84 ~ 2.64%)、重复性(RSD 0.45 ~ 3.03%)和相对校正因子(RSD 0.28 ~ 2.67%)对方法进行了严格验证。所有化合物均具有良好的线性关系(R2 > 0.999)。随后,筛选了37种SAD治疗COPD的靶蛋白。“化合物-靶点”相互作用和蛋白-蛋白相互作用网络发现TNF-α、IL-6和VEGFA可能在SAD治疗COPD中起关键作用。分子对接表明TNF-α与SAD的主要成分具有良好的亲和性。QAMS和网络药理学相结合的策略是评估SAD质量控制、揭示SAD治疗COPD的靶点和潜在机制的新方法。
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来源期刊
CiteScore
2.90
自引率
7.70%
发文量
94
审稿时长
5.6 months
期刊介绍: The Journal of Chromatographic Science is devoted to the dissemination of information concerning all methods of chromatographic analysis. The standard manuscript is a description of recent original research that covers any or all phases of a specific separation problem, principle, or method. Manuscripts which have a high degree of novelty and fundamental significance to the field of separation science are particularly encouraged. It is expected the authors will clearly state in the Introduction how their method compares in some markedly new and improved way to previous published related methods. Analytical performance characteristics of new methods including sensitivity, tested limits of detection or quantification, accuracy, precision, and specificity should be provided. Manuscripts which describe a straightforward extension of a known analytical method or an application to a previously analyzed and/or uncomplicated sample matrix will not normally be reviewed favorably. Manuscripts in which mass spectrometry is the dominant analytical method and chromatography is of marked secondary importance may be declined.
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