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精油的α-淀粉酶和血红蛋白糖基化抑制潜力及其主要成分的分子对接研究

α-amylase and hemoglobin glycation inhibitory potential of essential oil, and molecular docking studies of its principal components.

作者信息

Dalli Mohammed, Daoudi Nour Elhouda, Abrigach Farid, Azizi Salah-Eddine, Bnouham Mohamed, Kim Bonglee, Gseyra Nadia

机构信息

Laboratory of Bioresources, Biotechnology Ethnopharmacology and Health Faculty of Sciences, Mohammed First University, Oujda, Morocco.

Laboratory of Applied Chemistry and Environment, Faculty of Sciences, Mohammed First University, Oujda, Morocco.

出版信息

Front Pharmacol. 2022 Oct 20;13:1036129. doi: 10.3389/fphar.2022.1036129. eCollection 2022.

Abstract

is plant that is endowed with various pharmacological activities including antioxidant, anticancer, anti-inflammatory, antibacterial, antidiabetic, and immunostimulant. This study aims to investigate the antidiabetic activity of the essential oil on two key enzymes the α-amylase and hemoglobin glycation. After the extraction procedure, the essential oil, were subject to qualitative and semi-quantitative analysis using GC/MS, for the identification of the different bioactive compounds. This was followed by an evaluation of the inhibition capacity of the α-amylase and the hemoglobin glycation. Finally, a molecular docking study was conducted to determine the bioactive compounds responsible for the antidiabetic activity. The extracted essential oil showed the presence of different bioactive compounds including α-phellandrene (29.6%), β-cymene (23.8%), 4-caranol (9.7%), thymol (7%). The essential oil was found to be endowed with an antiradical scavenging activity with an IC of (7.81 ± 0.08 mg/ml), and to have a ferric reducing activity with an IC value of (7.53 ± 0.11 mg/ml). The IC value for the α-amylase inhibitory activity was 0.809 mg/ml, indicating an inhibitory impact of the enzyme. The IC value for the essential oil's hemoglobin antiglycation activity was 0.093 mg/ml. For most predominating phytochemicals present in the essential oil, molecular docking studies against human pancreatic α-amylase and human hemoglobin enzymes revealed that these compounds can serve as lead molecules to develop new antidiabetic compounds.

摘要

是一种具有多种药理活性的植物,包括抗氧化、抗癌、抗炎、抗菌、抗糖尿病和免疫刺激活性。本研究旨在探讨该精油对两种关键酶α-淀粉酶和血红蛋白糖基化的抗糖尿病活性。提取过程完成后,对该精油进行气相色谱/质谱联用(GC/MS)的定性和半定量分析,以鉴定不同的生物活性化合物。随后评估其对α-淀粉酶和血红蛋白糖基化的抑制能力。最后进行分子对接研究,以确定具有抗糖尿病活性的生物活性化合物。提取的精油显示存在不同的生物活性化合物,包括α-水芹烯(29.6%)、β-伞花烃(23.8%)、4-蒈烷醇(9.7%)、百里香酚(7%)。该精油具有抗自由基清除活性,IC50为(7.81±0.08mg/ml),并具有铁还原活性,IC值为(7.53±0.11mg/ml)。α-淀粉酶抑制活性的IC50值为0.809mg/ml,表明该酶受到抑制。该精油的血红蛋白抗糖基化活性的IC50值为0.093mg/ml。针对精油中存在的大多数主要植物化学物质,对人胰腺α-淀粉酶和人血红蛋白酶进行的分子对接研究表明,这些化合物可作为开发新型抗糖尿病化合物的先导分子。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/eef8/9631318/e73b06636828/fphar-13-1036129-g001.jpg

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