关键词: Taraxacum mongolicum antioxidant dandelion high-performance liquid chromatography mass spectrometry molecular docking online gradient pressure liquid extraction

Mesh : Antioxidants / chemistry Chromatography, High Pressure Liquid / methods Taraxacum / chemistry Plant Extracts / chemistry Molecular Docking Simulation Plant Roots / chemistry Plant Components, Aerial / chemistry

来  源:   DOI:10.3390/molecules29102315   PDF(Pubmed)

Abstract:
Utilizing online gradient pressure liquid extraction (OGPLE) coupled with a high-performance liquid chromatography antioxidant analysis system, we examined the antioxidative active components present in both the aerial parts and roots of dandelion. By optimizing the chromatographic conditions, we identified the ferric reducing-antioxidant power system as the most suitable for online antioxidant reactions in dandelion. Compared to offline ultrasonic extraction, the OGPLE method demonstrated superior efficiency in extracting chemical components with varying polarities from the samples. Liquid chromatography-mass spectrometry revealed twelve compounds within the dandelion samples, with nine demonstrating considerable antioxidant efficacy. Of these, the aerial parts and roots of dandelion contained nine and four antioxidant constituents, respectively. Additionally, molecular docking studies were carried out to investigate the interaction between these nine antioxidants and four proteins associated with oxidative stress (glutathione peroxidase, inducible nitric oxide synthase, superoxide dismutase, and xanthine oxidase). The nine antioxidant compounds displayed notable binding affinities below -5.0 kcal/mol with the selected proteins, suggesting potential receptor-ligand interactions. These findings contribute to enhancing our understanding of dandelion and provide a comprehensive methodology for screening the natural antioxidant components from herbs.
摘要:
利用在线梯度压力液体萃取(OGPLE)与高效液相色谱抗氧化剂分析系统,我们检查了蒲公英的地上部分和根部中存在的抗氧化活性成分。通过优化色谱条件,我们确定三价铁还原-抗氧化力系统是最适合蒲公英在线抗氧化反应的系统。与离线超声提取相比,OGPLE方法在从样品中提取不同极性的化学成分方面表现出优异的效率。液相色谱-质谱显示蒲公英样品中有12种化合物,九种表现出相当大的抗氧化功效。其中,蒲公英的地上部分和根部含有九种和四种抗氧化成分,分别。此外,进行了分子对接研究,以研究这9种抗氧化剂与4种与氧化应激相关的蛋白质之间的相互作用(谷胱甘肽过氧化物酶,诱导型一氧化氮合酶,超氧化物歧化酶,和黄嘌呤氧化酶)。九种抗氧化剂化合物与所选蛋白质的结合亲和力低于-5.0kcal/mol,提示潜在的受体-配体相互作用。这些发现有助于增强我们对蒲公英的理解,并为从草药中筛选天然抗氧化剂成分提供了全面的方法。
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