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抗氧化、降血糖作用及甲醇提取物、馏分和从 (DC.) Stapf 地上部分分离得到的化合物的分子对接研究

Antioxidant, Hypoglycemic and Molecular Docking Studies of Methanolic Extract, Fractions and Isolated Compounds from Aerial Parts of (DC.) Stapf.

机构信息

Key Laboratory of Tropical Plant Resource and Sustainable Use, Xishuangbanna Tropical Botanical Garden, Chinese Academy of Sciences, No.88 Xuefu Road, Kunming 650223, China.

University of Chinese Academy of Sciences, Beijing 100049, China.

出版信息

Molecules. 2022 Apr 30;27(9):2858. doi: 10.3390/molecules27092858.

DOI:10.3390/molecules27092858
PMID:35566208
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9104508/
Abstract

Traditionally, is used to treat a variety of ailments, including cough, indigestion, fever, and diabetes. The previous chemical and bioactive research on mainly focused on its volatile oil. In this study, 20 non-volatile known compounds were isolated from the dried aerial part of , and their structures were elucidated by MS, NMR spectroscopy, and comparison with the published spectroscopic data. Among them, 16 compounds were reported for the first time from this plant. The screening results for antioxidant and -glucosidase inhibitory activities indicated that compounds caffeic acid (), 1--p-coumaroyl-3--caffeoylglycerol (), 1,3--dicaffeoylglycerol () and luteolin-7---D-glucopyranoside () had potent antioxidant capacities, with IC values from 7.28 to 14.81 μM, 1.70 to 2.15 mol Trolox/mol and 1.31 to 2.42 mol Trolox/mol for DPPH, ABTS, and FRAP, respectively. Meanwhile, compounds and also exhibited significant inhibitory activities against -glucosidase, with IC values of 11.45 ± 1.82 μM and 5.46 ± 0.25 μM, respectively, which were reported for the first time for their -glucosidase inhibitory activities. The molecular docking result provided a molecular comprehension of the interaction between compounds ( and ) and -glucosidase. The significant antioxidant and -glucosidase inhibitory activities of compounds and suggested that they could be developed into antidiabetic drugs because of their potential regulatory roles on oxidative stress and digestive enzyme.

摘要

传统上,[草药名称]被用于治疗多种疾病,包括咳嗽、消化不良、发烧和糖尿病。之前对[草药名称]的化学和生物活性研究主要集中在其挥发油上。在这项研究中,从[草药名称]的干燥地上部分分离得到了 20 种已知的非挥发性化合物,并通过 MS、NMR 光谱和与已发表的光谱数据进行比较来阐明其结构。其中,有 16 种化合物是首次从该植物中报道的。抗氧化和 -葡萄糖苷酶抑制活性的筛选结果表明,化合物咖啡酸()、1--对香豆酰基-3--咖啡酰基甘油()、1,3--二咖啡酰基甘油()和木犀草素-7---D-吡喃葡萄糖苷()具有很强的抗氧化能力,其对 DPPH、ABTS 和 FRAP 的 IC 值分别为 7.28-14.81 μM、1.70-2.15 mol Trolox/mol 和 1.31-2.42 mol Trolox/mol。同时,化合物和也表现出对 -葡萄糖苷酶的显著抑制活性,其 IC 值分别为 11.45±1.82 μM 和 5.46±0.25 μM,这是首次报道它们对 -葡萄糖苷酶的抑制活性。分子对接结果提供了化合物(和)与 -葡萄糖苷酶相互作用的分子理解。化合物和的显著抗氧化和 -葡萄糖苷酶抑制活性表明,它们可能被开发成抗糖尿病药物,因为它们对氧化应激和消化酶具有潜在的调节作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/263c7264e486/molecules-27-02858-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/8acbe0bcca04/molecules-27-02858-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/f3c37d36496d/molecules-27-02858-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/0bd7c5c3b641/molecules-27-02858-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/263c7264e486/molecules-27-02858-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/8acbe0bcca04/molecules-27-02858-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/f3c37d36496d/molecules-27-02858-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/0bd7c5c3b641/molecules-27-02858-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/385d/9104508/263c7264e486/molecules-27-02858-g004.jpg

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