UHPLC-PDA-Q-TOF-MS-α-amylase-FLD activity detection system and molecular docking.

IF 3 3区生物学 Q2 BIOCHEMICAL RESEARCH METHODS

Phytochemical Analysis Pub Date : 2024-08-01 Epub Date: 2024-05-13 DOI:10.1002/pca.3377

Yaya Zhu, Yuangui Yang, Zhishu Tang, Taotao Xue, Shizhong Chen, Haodong Yang, Zenghu Su, Hongbo Xu

{"title":"UHPLC-PDA-Q-TOF-MS-α-amylase-FLD activity detection system and molecular docking.","authors":"Yaya Zhu, Yuangui Yang, Zhishu Tang, Taotao Xue, Shizhong Chen, Haodong Yang, Zenghu Su, Hongbo Xu","doi":"10.1002/pca.3377","DOIUrl":null,"url":null,"abstract":"Introduction: Traditional and some scientific literature document the antidiabetic effects of the Ziziphi Spinosae Semen (ZSS). However, the bioactive compounds of ZSS responsible for the antidiabetic effects are not well known.Objectives: This study aimed to investigate the material basis of the antidiabetic effects of ZSS by inhibiting α-amylase.Methodology: An online analysis platform was established and optimized using an ultra-performance liquid chromatography-photo-diode array-quadrupole-time-of-flight-mass spectrometry-α-amylase-fluorescence detector (UHPLC-PDA-Q-TOF-MS-α-amylase-FLD) system to screen α-amylase inhibitors in ZSS rapidly. The inhibitory effect of these compounds was confirmed by molecular docking screening. and the molecular interactions between α-amylase and active compounds were evaluated, which strongly supported the experimental results.Results: Seventy-eight compounds were identified in the ZSS extract, eleven of which were screened to have significant α-amylase binding activity.Conclusion: This study demonstrated the feasibility of using an established platform to screen for effective components in ZSS, providing a practical method for the rapid screening of potential antidiabetic active ingredients in traditional Chinese medicine.","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":null,"pages":null},"PeriodicalIF":3.0000,"publicationDate":"2024-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Phytochemical Analysis","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1002/pca.3377","RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/5/13 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}

引用次数: 0

Abstract

Introduction: Traditional and some scientific literature document the antidiabetic effects of the Ziziphi Spinosae Semen (ZSS). However, the bioactive compounds of ZSS responsible for the antidiabetic effects are not well known.

Objectives: This study aimed to investigate the material basis of the antidiabetic effects of ZSS by inhibiting α-amylase.

Methodology: An online analysis platform was established and optimized using an ultra-performance liquid chromatography-photo-diode array-quadrupole-time-of-flight-mass spectrometry-α-amylase-fluorescence detector (UHPLC-PDA-Q-TOF-MS-α-amylase-FLD) system to screen α-amylase inhibitors in ZSS rapidly. The inhibitory effect of these compounds was confirmed by molecular docking screening. and the molecular interactions between α-amylase and active compounds were evaluated, which strongly supported the experimental results.

Results: Seventy-eight compounds were identified in the ZSS extract, eleven of which were screened to have significant α-amylase binding activity.

Conclusion: This study demonstrated the feasibility of using an established platform to screen for effective components in ZSS, providing a practical method for the rapid screening of potential antidiabetic active ingredients in traditional Chinese medicine.

查看原文本刊更多论文

超高效液相色谱-PDA-Q-TOF-MS-α-淀粉酶-FLD 活性检测系统和分子对接。

简介传统文献和一些科学文献记载了酸枣仁精（ZSS）的抗糖尿病作用。然而，ZSS 中具有抗糖尿病作用的生物活性化合物并不十分清楚：本研究旨在通过抑制α-淀粉酶，探究酸枣仁精具有抗糖尿病作用的物质基础：方法：采用超高效液相色谱-光电二极管阵列-四极杆飞行时间质谱-α-淀粉酶-荧光检测器（UHPLC-PDA-Q-TOF-MS-α-淀粉酶-FLD）系统，建立并优化了在线分析平台，以快速筛选ZSS中的α-淀粉酶抑制剂。分子对接筛选证实了这些化合物的抑制作用，并评估了α-淀粉酶与活性化合物之间的分子相互作用，这有力地支持了实验结果：结果：在 ZSS 提取物中鉴定出 78 种化合物，其中 11 种经筛选具有显著的 α 淀粉酶结合活性：本研究证明了利用现有平台筛选浙贝母提取物中有效成分的可行性，为快速筛选传统中药中潜在的抗糖尿病活性成分提供了一种实用方法。

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

Phytochemical Analysis 生物-分析化学

CiteScore

6.00

自引率

6.10%

发文量

审稿时长

1.7 months

期刊介绍： Phytochemical Analysis is devoted to the publication of original articles concerning the development, improvement, validation and/or extension of application of analytical methodology in the plant sciences. The spectrum of coverage is broad, encompassing methods and techniques relevant to the detection (including bio-screening), extraction, separation, purification, identification and quantification of compounds in plant biochemistry, plant cellular and molecular biology, plant biotechnology, the food sciences, agriculture and horticulture. The Journal publishes papers describing significant novelty in the analysis of whole plants (including algae), plant cells, tissues and organs, plant-derived extracts and plant products (including those which have been partially or completely refined for use in the food, agrochemical, pharmaceutical and related industries). All forms of physical, chemical, biochemical, spectroscopic, radiometric, electrometric, chromatographic, metabolomic and chemometric investigations of plant products (monomeric species as well as polymeric molecules such as nucleic acids, proteins, lipids and carbohydrates) are included within the remit of the Journal. Papers dealing with novel methods relating to areas such as data handling/ data mining in plant sciences will also be welcomed.