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五种豆类种子针对老年痴呆症的代谢组学分析、体外研究和分子对接研究。

Metabolites profiling, in-vitro and molecular docking studies of five legume seeds for Alzheimer's disease.

机构信息

Pharmacognosy Department, Faculty of Pharmacy, Cairo University, Kasr-El-Ainy Street, Cairo, 11562, Egypt.

Natural Products Discovery Core, Life Sciences Institute, University of Michigan, Ann Arbor, MI, 48109, USA.

出版信息

Sci Rep. 2024 Aug 23;14(1):19637. doi: 10.1038/s41598-024-68743-7.

DOI:10.1038/s41598-024-68743-7
PMID:39179586
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11344142/
Abstract

Even though legumes are valuable medicinal plants with edible seeds that are extensively consumed worldwide, there is little information available on the metabolic variations between different dietary beans and their influence as potential anti-cholinesterase agents. High-resolution liquid chromatography coupled with mass spectrometry in positive and negative ionization modes combined with multivariate analysis were used to explore differences in the metabolic profiles of five commonly edible seeds, fava bean, black-eyed pea, kidney bean, red lentil, and chickpea. A total of 139 metabolites from various classes were identified including saponins, alkaloids, phenolic acids, iridoids, and terpenes. Chickpea showed the highest antioxidant and anti-cholinesterase effects, followed by kidney beans. Supervised and unsupervised chemometric analysis determined that species could be distinguished by their different discriminatory metabolites. The major metabolic pathways in legumes were also studied. Glycerophospholipid metabolism was the most significantly enriched KEGG pathway. Pearson's correlation analysis pinpointed 18 metabolites that were positively correlated with the anti-cholinesterase activity. Molecular docking of the biomarkers to the active sites of acetyl- and butyryl-cholinesterase enzymes revealed promising binding scores, validating the correlation results. The present study will add to the metabolomic analysis of legumes and their nutritional value and advocate their inclusion in anti-Alzheimer's formulations.

摘要

尽管豆类是具有食用种子的有价值药用植物,在全球范围内广泛食用,但关于不同食用豆类之间代谢差异及其作为潜在抗胆碱酯酶的影响的信息却很少。采用正、负离子模式下的高分辨液相色谱与质谱联用技术结合多元分析方法,研究了五种常见食用种子(蚕豆、黑眼豆、芸豆、红扁豆和鹰嘴豆)的代谢谱差异。共鉴定出包括皂甙、生物碱、酚酸、环烯醚萜和萜类在内的 139 种不同类别的代谢物。鹰嘴豆表现出最高的抗氧化和抗胆碱酯酶作用,其次是芸豆。有监督和无监督的化学计量学分析确定,通过其不同的区分代谢物可以区分物种。还研究了豆类中的主要代谢途径。甘油磷脂代谢是最显著富集的 KEGG 途径。皮尔逊相关性分析确定了 18 种与抗胆碱酯酶活性呈正相关的代谢物。将生物标志物与乙酰胆碱酯酶和丁酰胆碱酯酶的活性位点进行分子对接,揭示了有希望的结合分数,验证了相关结果。本研究将增加对豆类及其营养价值的代谢组学分析,并提倡将其纳入抗阿尔茨海默病配方中。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/1c1c8be05ac7/41598_2024_68743_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/211933a0e014/41598_2024_68743_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/f9aec627129c/41598_2024_68743_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/a97651f31ebc/41598_2024_68743_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/2b23d9a9ff97/41598_2024_68743_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/9ea3f4ffa186/41598_2024_68743_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/1c1c8be05ac7/41598_2024_68743_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/211933a0e014/41598_2024_68743_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/f9aec627129c/41598_2024_68743_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/a97651f31ebc/41598_2024_68743_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/2b23d9a9ff97/41598_2024_68743_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/9ea3f4ffa186/41598_2024_68743_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b10/11344142/1c1c8be05ac7/41598_2024_68743_Fig6_HTML.jpg

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