结合血清药物化学与网络药理学研究乌参汤防治下肢丹毒的作用机制

IF 1.8 4区 医学 Q4 BIOCHEMICAL RESEARCH METHODS
Ying Wang, Xiao Dai, Xianhong Zhu, Weiping Wang, Chen Wang, Shiyu Li, Shuai Sun, Xun Gao, Kunming Qin
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引用次数: 0

摘要

下肢丹毒(LEE)是一种常见的皮肤和软组织感染,主要由链球菌引起,通常表现为发烧、红斑和疼痛。乌神汤(WSD)是一种复方中药,历来用于治疗LEE,但其确切的作用机制尚不清楚。在本研究中,我们采用血清药物化学、网络药理学和分子对接技术相结合的方法,探讨了WSD治疗LEE的作用机制。首先,采用UPLC-Q-Exactive Orbitrap-MS/MS技术,鉴定出WSD处理大鼠血清中的39种候选活性化合物。随后,网络药理学分析确定了LEE与活性成分之间的35个重叠靶点和23个相关信号通路。进一步的分析和分子对接研究证实,关键活性成分(芦丁、金丝桃苷和木犀草苷)与核心靶点(PTGS - 2和TNF)具有潜在的有效治疗作用。此外,体外实验表明,WSD显著下调PTGS 2和TNF的表达,从而验证了网络药理学的发现,并为潜在的机制提供了新的见解。结果提示,WSD可能通过调节TNF和nf - κ B信号通路发挥对LEE的治疗作用,为LEE的预防和治疗提供了一条有希望的途径。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Integrating Serum Pharmacochemistry With Network Pharmacology to Elucidate the Mechanism of Wushen Decoction in the Prevention and Treatment of Lower Extremity Erysipelas

Lower extremity erysipelas (LEE), a frequently seen skin and soft tissue infection caused predominantly by streptococci, usually presents with fever, erythema and pain. Wushen Decoction (WSD), a Compound traditional Chinese medicine, has been used historically to treat LEE, though its exact mechanism of action remains unclear. In this study, we explored the therapeutic mechanisms of WSD in treating LEE by employing a combination of serum pharmacochemistry, network pharmacology, and molecular docking techniques. Initially, using UPLC-Q-Exactive Orbitrap-MS/MS, 39 candidate active compounds in the serum of rats treated with WSD were identified. Subsequently, network pharmacology analysis identified 35 overlapping targets between LEE and the active components, and 23 related signaling pathways. Further analysis and molecular docking studies have confirmed that the key active components (rutin, hyperoside and luteoloside) possess potential for effective therapeutic effects with the core targets (PTGS 2 and TNF). Furthermore, in vitro experiments demonstrated that WSD significantly downregulated the expression of PTGS 2 and TNF, thereby validating the network pharmacology findings and providing insights into the potential mechanisms. Results suggested that WSD may exert its therapeutic effects on LEE by modulating the TNF and NF-kappa B signaling pathway, offering a promising approach for the prevention and treatment of LEE.

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来源期刊
Biomedical Chromatography
Biomedical Chromatography 生物-分析化学
CiteScore
3.60
自引率
5.60%
发文量
268
审稿时长
2.3 months
期刊介绍: Biomedical Chromatography is devoted to the publication of original papers on the applications of chromatography and allied techniques in the biological and medical sciences. Research papers and review articles cover the methods and techniques relevant to the separation, identification and determination of substances in biochemistry, biotechnology, molecular biology, cell biology, clinical chemistry, pharmacology and related disciplines. These include the analysis of body fluids, cells and tissues, purification of biologically important compounds, pharmaco-kinetics and sequencing methods using HPLC, GC, HPLC-MS, TLC, paper chromatography, affinity chromatography, gel filtration, electrophoresis and related techniques.
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