基于指纹图谱和网络分析的盐泽泻利尿潜在q标记分析。

IF 3 3区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Lin Yan, Zemin Ou, Yun Wang, Yan Tong, Jinyu Wang, Dewen Liu
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引用次数: 0

摘要

摘要盐制泽泻(SAR) (Alisma plantago-aquqtica L.)的养阴促尿能力强于泽泻(AR)。然而,对其药材质量评价的研究较少。目的:本研究旨在鉴定SAR的潜在质量标记(q -marker),为其质量控制和临床应用提供更可靠的依据。方法:通过指纹图谱和化学模式识别对15批SAR进行q标记鉴定,并通过网络分析和分子对接验证q标记的利尿作用。结果:建立了15个SAR批次的HPLC指纹图谱,相似度分析值为> 0.85(0.852 ~ 0.990)。化学模式识别鉴定出6种影响SAR质量的关键化合物:alisol F、alisol c23 -acetate、alisol A、alisol A 24-acetate、alisol B 23-acetate和alisol O异构体(VIP > 1.0)。网络分析发现,这些化合物与利尿剂相关疾病之间存在76个重叠靶点,其中核心靶点包括非受体酪氨酸激酶(SRC)、表皮生长因子受体(EGFR)、丝裂原活化蛋白激酶1 (MAPK1),通过蛋白-蛋白相互作用(PPI)网络分析确定,度分别为27、24和22。涉及的关键通路有EGFR酪氨酸激酶抑制剂耐药通路、钙信号通路、肿瘤坏死因子信号通路等。分子对接证实了q标记与枢纽靶点之间的强结合相互作用,特别是alisol B 23-acetate与MAPK1 (-60.10 kcal·mol-1), alisol A 24-acetate与EGFR (-46.14 kcal·mol-1)和SRC (-48.86 kcal·mol-1)。SAR的利尿作用可能是通过多靶点、多途径的抗炎作用和调节水钠平衡介导的。结论:本研究为SAR的质量控制和临床应用提供了坚实的基础,但需要进一步的体内验证。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Analysis of Potential Q-Markers for Salt-Processed Alismatis Rhizoma in Diuresis Based on Fingerprinting Technology and Network Analysis.

Introduction: The ability of salt-processed Alismatis Rhizoma (SAR) (Alisma plantago-aquqtica L.) to nourish Yin and promote urination is stronger than that of Alismatis Rhizoma (AR). However, there are few studies focused on evaluating the quality of its medicinal materials.

Objectives: This study aimed to identify potential quality markers (Q-markers) for SAR, thereby providing a more reliable basis for its quality control and clinical application.

Methods: Q-markers were identified through fingerprinting and chemical pattern recognition analysis of 15 batches of SAR. The diuretic effects of these markers were then verified by network analysis and molecular docking.

Results: HPLC fingerprints of 15 SAR batches were established, with similarity analysis showing values > 0.85 (0.852-0.990). Chemical pattern recognition identified six critical compounds contributing to SAR quality: alisol F, alisol C 23-acetate, alisol A, alisol A 24-acetate, alisol B 23-acetate, and an alisol O isomer (VIP > 1.0). Network analysis revealed 76 overlapping targets between these compounds and diuretic-related diseases, with core targets including non-receptor tyrosine kinase (SRC), epidermal growth factor receptor (EGFR), mitogen-activated protein kinase 1 (MAPK1), which were identified through protein-protein interaction (PPI) network analysis, with degrees of 27, 24, and 22, respectively. Key pathways involved were the EGFR tyrosine kinase inhibitor resistance pathway, calcium signaling pathway, tumor necrosis factor signaling pathway, etc. Molecular docking confirmed strong binding interactions between the Q-markers and the hub targets, particularly alisol B 23-acetate with MAPK1 (-60.10 kcal·mol-1) and alisol A 24-acetate with EGFR (-46.14 kcal·mol-1) and SRC (-48.86 kcal·mol-1). The diuretic effects of SAR are likely mediated through anti-inflammatory actions and regulation of water-sodium balance via multi-target and multi-pathway mechanisms.

Conclusion: This study provides a robust foundation for quality control and clinical application of SAR, though further in vivo validation is warranted.

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来源期刊
Current Issues in Molecular Biology
Current Issues in Molecular Biology 生物-生化研究方法
CiteScore
2.90
自引率
3.20%
发文量
380
审稿时长
>12 weeks
期刊介绍: Current Issues in Molecular Biology (CIMB) is a peer-reviewed journal publishing review articles and minireviews in all areas of molecular biology and microbiology. Submitted articles are subject to an Article Processing Charge (APC) and are open access immediately upon publication. All manuscripts undergo a peer-review process.
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