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常见地中海可食用植物中植物化学物质多靶点抗糖尿病特性的计算筛选

Computation Screening of Multi-Target Antidiabetic Properties of Phytochemicals in Common Edible Mediterranean Plants.

作者信息

Goulas Vlasios, Banegas-Luna Antonio J, Constantinou Athena, Pérez-Sánchez Horacio, Barbouti Alexandra

机构信息

Department of Agricultural Sciences, Biotechnology and Food Science, Cyprus University of Technology, Lemesos 3603, Cyprus.

Structural Bioinformatics and High Performance Computing (BIO-HPC) Research Group, UCAM Universidad Católica de Murcia, 30107 Guadalupe, Spain.

出版信息

Plants (Basel). 2022 Jun 21;11(13):1637. doi: 10.3390/plants11131637.

Abstract

Diabetes mellitus is a metabolic disease and one of the leading causes of deaths worldwide. Numerous studies support that the Mediterranean diet has preventive and treatment effects on diabetes. These effects have been attributed to the special bioactive composition of Mediterranean foods. The objective of this work was to decipher the antidiabetic activity of Mediterranean edible plant materials using the DIA-DB inverse virtual screening web server. A literature review on the antidiabetic potential of Mediterranean plants was performed and twenty plants were selected for further examination. Subsequently, the most abundant flavonoids, phenolic acids, and terpenes in plant materials were studied to predict their antidiabetic activity. Results showed that flavonoids are the most active phytochemicals as they modulate the function of 17 protein-targets and present high structural similarity with antidiabetic drugs. Their antidiabetic effects are linked with three mechanisms of action, namely (i) regulation of insulin secretion/sensitivity, (ii) regulation of glucose metabolism, and (iii) regulation of lipid metabolism. Overall, the findings can be utilized to understand the antidiabetic activity of edible Mediterranean plants pinpointing the most active phytoconstituents.

摘要

糖尿病是一种代谢性疾病,也是全球主要死因之一。众多研究表明,地中海饮食对糖尿病具有预防和治疗作用。这些作用归因于地中海食物特殊的生物活性成分。本研究的目的是使用DIA-DB反向虚拟筛选网络服务器来解读地中海可食用植物材料的抗糖尿病活性。对地中海植物的抗糖尿病潜力进行了文献综述,并选择了20种植物进行进一步研究。随后,研究了植物材料中最丰富的黄酮类化合物、酚酸和萜类化合物,以预测它们的抗糖尿病活性。结果表明,黄酮类化合物是最具活性的植物化学物质,因为它们调节17种蛋白质靶点的功能,并且与抗糖尿病药物具有高度的结构相似性。它们的抗糖尿病作用与三种作用机制有关,即(i)胰岛素分泌/敏感性的调节,(ii)葡萄糖代谢的调节,以及(iii)脂质代谢的调节。总体而言,这些发现可用于了解可食用地中海植物的抗糖尿病活性,确定最具活性的植物成分。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c732/9269125/b3ebaf6d2d44/plants-11-01637-g001.jpg

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