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波兰杨树蜂胶中的精选多酚作为塑造其抗菌特性的关键成分——体外和计算机模拟方法

Selected Polyphenols of Polish Poplar Propolis as a Key Component Shaping Its Antibacterial Properties-In Vitro and In Silico Approaches.

作者信息

Dżugan Małgorzata, Miłek Michał, Ciszkowicz Ewa, Łyskowski Andrzej, Tomczyk Monika

机构信息

Department of Chemistry and Food Toxicology, Institute of Food Technology and Nutrition, Faculty of Technology and Life Sciences, University of Rzeszów, Ćwiklińskiej 1a, 35-601 Rzeszow, Poland.

Department of Biotechnology and Bioinformatics, Faculty of Chemistry, Rzeszów University of Technology, al. Powstańców Warszawy 6, 35-959 Rzeszow, Poland.

出版信息

Molecules. 2025 May 3;30(9):2036. doi: 10.3390/molecules30092036.

Abstract

Propolis is a natural antibacterial medicine with a varied content of phenolic compounds, which determines the activity of the ethanol extract of propolis (EEP). A new attempt was made to standardize ethanol propolis extract via its conversion into a dry concentrate (dEEP) through a two-step process. Four samples of poplar propolis from the same geographical region were used for the study. Obtained dry concentrates reconstituted in 70% ethanol (500 μg/mL) were analyzed for their antioxidant properties, total phenolic and flavonoid contents, as well as HPLC polyphenol profile. It was shown that dEEP solutions in 70% ethanol, regardless of the diversified quality of the raw material, have equalized antioxidant properties and phenolic and flavonoid contents compared to raw EEPs. However, quantitative differences in the nine individual components were still found by HPLC-DAD. The antibacterial activity of the dEEP solutions (0.03-500 µg/mL) was compared with three individual polyphenols' effect against Klebsiella pneumoniae and Streptococcus agalactiae. Based on the obtained MIC values and anti-biofilm activity of dEEPs compared to pure polyphenols, it was established that the effectiveness of the extract results from the combined action of flavonoids and phenolic acids. The antibacterial effectiveness of -coumaric acid, galangin, and pinocembrin was additionally modeled using in silico analyses, suggesting promiscuous binding of all tested polyphenolic ligands to target enzymes.

摘要

蜂胶是一种天然抗菌药物,其酚类化合物含量各异,这决定了蜂胶乙醇提取物(EEP)的活性。通过两步法将乙醇蜂胶提取物转化为干浓缩物(dEEP),从而对其进行标准化的新尝试。本研究使用了来自同一地理区域的四个杨树蜂胶样本。对在70%乙醇(500μg/mL)中重构的所得干浓缩物进行抗氧化性能、总酚和黄酮含量以及HPLC多酚谱分析。结果表明,与原始EEP相比,70%乙醇中的dEEP溶液,无论原料质量如何多样,其抗氧化性能以及酚类和黄酮类含量均已均衡。然而,通过HPLC-DAD仍发现九种单个成分存在定量差异。将dEEP溶液(0.03 - 500μg/mL)的抗菌活性与三种单个多酚对肺炎克雷伯菌和无乳链球菌的作用进行了比较。基于所得的MIC值以及dEEP与纯多酚相比的抗生物膜活性,确定提取物的有效性源于黄酮类化合物和酚酸的联合作用。此外,使用计算机模拟分析对香豆酸、高良姜素和松属素的抗菌有效性进行了建模,表明所有测试的多酚配体与靶酶存在混杂结合。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb22/12073398/926266f65615/molecules-30-02036-g001.jpg

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