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结合酚类成分分析、药理学特性和计算机模拟研究,深入了解来自土耳其的卷耳。

Combination of phenolic profiles, pharmacological properties and in silico studies to provide new insights on Silene salsuginea from Turkey.

机构信息

Selcuk University, Science Faculty, Department of Biology, Campıus, Konya, Turkey.

Centre of Marine Sciences, University of Algarve, Faculty of Sciences and Technology, Ed. 7, Campus of Gambelas, 8005-139, Faro, Portugal.

出版信息

Comput Biol Chem. 2018 Dec;77:178-186. doi: 10.1016/j.compbiolchem.2018.10.005. Epub 2018 Oct 9.

DOI:10.1016/j.compbiolchem.2018.10.005
PMID:30336375
Abstract

The genus Silene is renowned in Turkey for its traditional use as food and medicine. Currently, there are 138 species of Silene in Turkey, amongst which have been several studies for possible pharmacological potential and application in food industry. However, there is currently a paucity of data on Silene salsuginea Hub.-Mor. This study endeavours to access its antioxidant, enzyme inhibitory, and anti-inflammatory properties. Besides, reversed-phase high-performance liquid chromatography-diode array detector (RP-HPLC-DAD) was used to detect phenolic compounds, and molecular docking was performed to provide new insights for tested enzymes and phenolics. High amounts of apigenin (534 μg/g extract), ferulic acid (452 μg/g extract), p-coumaric acid (408 μg/g extract), and quercetin (336 μg/g extract) were detected in the methanol extract while rutin (506 μg/g extract) was most abundant in the aqueous extract. As for their biological properties, the methanol extract exhibited the best antioxidant effect in the DPPH and CUPRAC assays, and also the highest inhibition against tyrosinase. The aqueous extract was the least active enzyme inhibitor but showed the highest antioxidant efficacy in the ABTS, FRAP, and metal chelating assays. At a concentration of 15.6 μg/mL, the methanol extract resulted in a moderate decrease (25.1%) of NO production in lipopolysaccharide-stimulated cells. Among the phenolic compounds, epicatechin, (+)-catechin, and kaempferol showed the highest binding affinity towards the studied enzymes in silico. It can be concluded that extracts of S. salsuginea are a potential source of functional food ingredients but need further analytical experiments to explore its complexity of chemical compounds and pharmacological properties as well as using in vivo toxicity models to establish its maximum tolerated dose.

摘要

香石竹属在土耳其因其作为食物和药物的传统用途而闻名。目前,土耳其有 138 种香石竹,其中有几项研究是关于其可能的药理潜力和在食品工业中的应用。然而,目前关于香石竹属 salsuginea Hub.-Mor 的数据很少。本研究旨在评估其抗氧化、酶抑制和抗炎特性。此外,还使用反相高效液相色谱-二极管阵列检测器 (RP-HPLC-DAD) 检测酚类化合物,并进行分子对接,为测试酶和酚类化合物提供新的见解。甲醇提取物中检测到大量芹菜素(534μg/g 提取物)、阿魏酸(452μg/g 提取物)、对香豆酸(408μg/g 提取物)和槲皮素(336μg/g 提取物),而水提物中芦丁(506μg/g 提取物)含量最高。就其生物特性而言,甲醇提取物在 DPPH 和 CUPRAC 测定中表现出最好的抗氧化效果,对酪氨酸酶的抑制作用也最强。水提物是最不活跃的酶抑制剂,但在 ABTS、FRAP 和金属螯合测定中具有最高的抗氧化效果。在 15.6μg/mL 浓度下,甲醇提取物可使脂多糖刺激的细胞中 NO 产量适度减少(25.1%)。在酚类化合物中,表儿茶素、(+)-儿茶素和山柰酚在计算机模拟中对研究酶表现出最高的结合亲和力。综上所述,香石竹属的提取物是功能性食品成分的潜在来源,但需要进一步的分析实验来探索其化合物的复杂性和药理特性,以及使用体内毒性模型来确定其最大耐受剂量。

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