植物化学物质分析、抗氧化和抗菌活性的体外和计算机研究。
: Phytochemical Profiling, Antioxidant and Antimicrobial Activity Using In Vitro and In Silico Studies.
机构信息
Chemistry Department, University of Hamma Lakhdar El-Oued, P.O. Box 789, El-Oued 39000, Algeria.
Nuclear Research Centre of Birine, P.O. Box 180, Ain Oussera 17200, Algeria.
出版信息
Molecules. 2022 Jun 10;27(12):3744. doi: 10.3390/molecules27123744.
() is a traditional plant that is popular for its richness in phenolic compounds and flavonoids. The aim of this study was to comprehensively investigate the phytochemical profile by liquid chromatography, electrospray ionization and tandem mass spectrometry (LC-ESI-MS), the mineral contents and the biological properties of methanol extract. contains significant amounts of phenolic compounds and flavonoids. Thirteen compounds classified as flavonoids were identified. is rich in nutrients such as Na, Fe and Ca. Moreover, the methanol extract of showed significant antioxidant activity without cytotoxic activity on HCT116 cells (human colon cancer cell line) and HepG2 cells (human hepatoma), showing an inhibition zone of 13 mm in diameter. In silico studies showed that decanoic acid ethyl ester exhibited the best fit in β-lactamase and DNA gyrase active sites; meanwhile, oleic acid showed the best fit in reductase binding sites. Thus, it can be concluded that can serve as a beneficial nutraceutical agent, owing to its significant antioxidant and antibacterial potential and due to its richness in iron, calcium and potassium, which are essential for maintaining a healthy lifestyle.
()是一种传统植物，因其富含酚类化合物和类黄酮而广受欢迎。本研究旨在通过液相色谱、电喷雾电离和串联质谱（LC-ESI-MS）全面研究甲醇提取物的植物化学成分、矿物质含量和生物特性。结果表明，()含有大量的酚类化合物和类黄酮。鉴定出 13 种分类为类黄酮的化合物。()富含营养物质，如 Na、Fe 和 Ca。此外，()甲醇提取物具有显著的抗氧化活性，对 HCT116 细胞（人结肠癌细胞系）和 HepG2 细胞（人肝癌细胞系）无细胞毒性，其抑菌圈直径为 13 毫米。计算机模拟研究表明，癸酸乙酯在β-内酰胺酶和 DNA 拓扑异构酶活性部位的拟合效果最好；而油酸在还原酶结合部位的拟合效果最好。因此，可以得出结论，()可以作为一种有益的营养药物，因为它具有显著的抗氧化和抗菌潜力，并且富含铁、钙和钾，这些是维持健康生活方式所必需的。
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