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体外和计算机评估富含多酚和环烯醚萜的欧洲越桔(Cornus mas L.)提取物的生物活性潜力。

An in vitro and in silico evaluation of bioactive potential of cornelian cherry (Cornus mas L.) extracts rich in polyphenols and iridoids.

机构信息

Department of Field and Vegetable Crops, Faculty of Agriculture, University of Novi Sad, Trg Dositeja Obradovića 8, 21000 Novi Sad, Serbia.

Faculty of Agrobiotechnical Sciences Osijek, Josip Juraj Strossmayer University of Osijek, Vladimira Preloga 1, 31 000 Osijek, Croatia.

出版信息

Food Chem. 2021 Jan 15;335:127619. doi: 10.1016/j.foodchem.2020.127619. Epub 2020 Jul 25.

DOI:10.1016/j.foodchem.2020.127619
PMID:32739809
Abstract

In the present research, seven different cornelian cherry (Cornus mas L.) cultivars and selections were examined. In vitro and in silico methods were applied for determining and correlating phytochemical constituents and biological potential. Loganic acid, cornuside, cyanidin3-galactoside, and pelargonidin 3-galactoside were determined as the most dominant compounds, presenting ≥90% of the all detected iridoid and phenolic constituents in the extracts. Cornelian cherry fruits were characterized by high antioxidant capacity and antiproliferative activity on human colon cancer cells (HT29). It was observed the strong inhibitory potential of α-amylase, α-glucosidase, and dipeptidyl peptidase III (DPP III) enzyme activities. Principal component analysis (PCA) was used as a very helpful tool to discriminate the constituents with the highest contribution to tested bioactivities and to highlight the most potent genotypes. PCA, together with binding energies measurements and docking analysis, pointed out pelargonidin 3-robinobioside as the strongest inhibitor of α-glucosidase.

摘要

本研究对七种不同的山茱萸(Cornus mas L.)品种和品系进行了研究。应用体外和计算机模拟方法来确定和关联植物化学成分和生物潜力。鉴定出洛可酸、山茱萸苷、矢车菊素 3-半乳糖苷和天竺葵素 3-半乳糖苷为最主要的化合物,其在提取物中所有检测到的环烯醚萜和酚类成分的含量均≥90%。山茱萸果实具有较高的抗氧化能力和对人结肠癌细胞(HT29)的抗增殖活性。研究观察到对α-淀粉酶、α-葡萄糖苷酶和二肽基肽酶 III(DPP III)酶活性具有很强的抑制潜力。主成分分析(PCA)被用作一种非常有用的工具,可以区分对测试生物活性有最大贡献的成分,并突出最有效的基因型。PCA 与结合能测量和对接分析一起,指出天竺葵素 3-槐糖苷是α-葡萄糖苷酶的最强抑制剂。

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