Identification of Potential α-Glucosidase Inhibitors from American Ginseng Processed Products by UHPLC-Q-Orbitrap/MS and Molecular Docking

IF 2.8 4区农林科学 Q2 FOOD SCIENCE & TECHNOLOGY

Food Biophysics Pub Date : 2024-06-18 DOI:10.1007/s11483-024-09860-8

Liwen Liang, Xiaokang Liu, Juan Shao, Jiaqi Shen, Youzhen Yao, Xin Huang, Guangzhi Cai, Yunlong Guo, Jiyu Gong

{"title":"Identification of Potential α-Glucosidase Inhibitors from American Ginseng Processed Products by UHPLC-Q-Orbitrap/MS and Molecular Docking","authors":"Liwen Liang, Xiaokang Liu, Juan Shao, Jiaqi Shen, Youzhen Yao, Xin Huang, Guangzhi Cai, Yunlong Guo, Jiyu Gong","doi":"10.1007/s11483-024-09860-8","DOIUrl":null,"url":null,"abstract":"<div><p>The traditional herb American ginseng (<i>Panax quinquefolium</i> L.) can be processed into two common products: dried American ginseng (DAG) and red American ginseng (RAG), which have well-established hypoglycemic activity, making it a functional food as well. However, the mechanism by which the main active ingredients inhibit α-glucosidase, a crucial target for hypoglycemic drugs, remains unclear. In this research, we employed ultra-high-performance liquid chromatography coupled with quadrupole orbitrap mass spectrometry (UHPLC-Q-Orbitrap/MS) to analyze the chemical composition of ethanol extracts of dried American ginseng (EDAG) and red American ginseng (ERAG). Subsequent in vitro experiments were conducted to assess the α-glucosidase inhibitory activity of EDAG and ERAG. Comparative enzymatic kinetics analyses were performed as well. Molecular docking analysis revealed the interaction between the differential saponins and α-glucosidase, further validated through verification experiments. Among the total 47 identified saponins, 9 were characterized by OPLS-DA as differentially expressed between EDAG and ERAG. Notably, ERAG exhibited more robust α-glucosidase inhibitory activity than EDAG. Enzyme inhibition kinetics revealed that both products displayed reversible mixed-type inhibition on α-glucosidase, suggesting their inhibitory effects are associated with saponin composition. Molecular docking studies demonstrated that all 9 differential saponins exhibited inhibitory effects on α-glucosidase. Verification studies substantiated ginsenosides like Rb<sub>1</sub>, Rd, and others as inhibitors of α-glucosidase. These findings contribute to a more comprehensive understanding of processed American ginseng and provide valuable insights for developing glucose-lowering functional foods.</p></div>","PeriodicalId":564,"journal":{"name":"Food Biophysics","volume":"19 3","pages":"688 - 700"},"PeriodicalIF":2.8000,"publicationDate":"2024-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Food Biophysics","FirstCategoryId":"97","ListUrlMain":"https://link.springer.com/article/10.1007/s11483-024-09860-8","RegionNum":4,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"FOOD SCIENCE & TECHNOLOGY","Score":null,"Total":0}

引用次数: 0

Abstract

The traditional herb American ginseng (Panax quinquefolium L.) can be processed into two common products: dried American ginseng (DAG) and red American ginseng (RAG), which have well-established hypoglycemic activity, making it a functional food as well. However, the mechanism by which the main active ingredients inhibit α-glucosidase, a crucial target for hypoglycemic drugs, remains unclear. In this research, we employed ultra-high-performance liquid chromatography coupled with quadrupole orbitrap mass spectrometry (UHPLC-Q-Orbitrap/MS) to analyze the chemical composition of ethanol extracts of dried American ginseng (EDAG) and red American ginseng (ERAG). Subsequent in vitro experiments were conducted to assess the α-glucosidase inhibitory activity of EDAG and ERAG. Comparative enzymatic kinetics analyses were performed as well. Molecular docking analysis revealed the interaction between the differential saponins and α-glucosidase, further validated through verification experiments. Among the total 47 identified saponins, 9 were characterized by OPLS-DA as differentially expressed between EDAG and ERAG. Notably, ERAG exhibited more robust α-glucosidase inhibitory activity than EDAG. Enzyme inhibition kinetics revealed that both products displayed reversible mixed-type inhibition on α-glucosidase, suggesting their inhibitory effects are associated with saponin composition. Molecular docking studies demonstrated that all 9 differential saponins exhibited inhibitory effects on α-glucosidase. Verification studies substantiated ginsenosides like Rb₁, Rd, and others as inhibitors of α-glucosidase. These findings contribute to a more comprehensive understanding of processed American ginseng and provide valuable insights for developing glucose-lowering functional foods.

Abstract Image

查看原文本刊更多论文

通过超高效液相色谱-Q-轨道rap/质谱和分子对接鉴定西洋参加工产品中潜在的 α-葡萄糖苷酶抑制剂

传统草药西洋参（Panax quinquefolium L.）可加工成两种常见产品：干西洋参（DAG）和红西洋参（RAG）。然而，其主要活性成分抑制α-葡萄糖苷酶（降糖药物的一个重要靶点）的机制仍不清楚。在这项研究中，我们采用超高效液相色谱-四极杆轨道质谱（UHPLC-Q-Orbitrap/MS）分析了干西洋参（EDAG）和红参（ERAG）乙醇提取物的化学成分。随后进行了体外实验，以评估 EDAG 和 ERAG 的 α-葡萄糖苷酶抑制活性。同时还进行了酶动力学对比分析。分子对接分析揭示了不同皂苷与 α-葡萄糖苷酶之间的相互作用，并通过验证实验进行了进一步验证。在总共鉴定出的 47 种皂甙中，有 9 种通过 OPLS-DA 鉴定出在 EDAG 和 ERAG 之间有差异表达。值得注意的是，ERAG 比 EDAG 表现出更强的α-葡萄糖苷酶抑制活性。酶抑制动力学显示，这两种产品都对α-葡萄糖苷酶有可逆的混合型抑制作用，表明它们的抑制作用与皂苷成分有关。分子对接研究表明，所有 9 种不同的皂苷都对α-葡萄糖苷酶有抑制作用。验证研究证实了 Rb1、Rd 等人参皂甙是 α-葡萄糖苷酶的抑制剂。这些发现有助于更全面地了解加工后的西洋参，并为开发降糖功能食品提供了宝贵的见解。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Food Biophysics 工程技术-食品科技

CiteScore

5.80

自引率

3.30%

发文量

审稿时长

1 months

期刊介绍： Biophysical studies of foods and agricultural products involve research at the interface of chemistry, biology, and engineering, as well as the new interdisciplinary areas of materials science and nanotechnology. Such studies include but are certainly not limited to research in the following areas: the structure of food molecules, biopolymers, and biomaterials on the molecular, microscopic, and mesoscopic scales; the molecular basis of structure generation and maintenance in specific foods, feeds, food processing operations, and agricultural products; the mechanisms of microbial growth, death and antimicrobial action; structure/function relationships in food and agricultural biopolymers; novel biophysical techniques (spectroscopic, microscopic, thermal, rheological, etc.) for structural and dynamical characterization of food and agricultural materials and products; the properties of amorphous biomaterials and their influence on chemical reaction rate, microbial growth, or sensory properties; and molecular mechanisms of taste and smell. A hallmark of such research is a dependence on various methods of instrumental analysis that provide information on the molecular level, on various physical and chemical theories used to understand the interrelations among biological molecules, and an attempt to relate macroscopic chemical and physical properties and biological functions to the molecular structure and microscopic organization of the biological material.