Targeted Screening for Active Flavonoids From Medicinal Extracts to Trap Methylglyoxal: Scutellaria barbata Herba as a Case Study

IF 1.7 3区化学 Q4 BIOCHEMICAL RESEARCH METHODS

Rapid Communications in Mass Spectrometry Pub Date : 2025-09-16 DOI:10.1002/rcm.10129

Qingrui Zhang, Xiaoxiao Zhang, Qibao Jiang, Xiaoge Li, Miaomiao Jiang

{"title":"Targeted Screening for Active Flavonoids From Medicinal Extracts to Trap Methylglyoxal: Scutellaria barbata Herba as a Case Study","authors":"Qingrui Zhang, Xiaoxiao Zhang, Qibao Jiang, Xiaoge Li, Miaomiao Jiang","doi":"10.1002/rcm.10129","DOIUrl":null,"url":null,"abstract":"<div>\n \n \n <section>\n \n <h3> Rationale</h3>\n \n <p>Methylglyoxal (MGO) is a highly reactive carbonyl species that modifies proteins, leading to the formation of advanced glycation end products (AGEs), which contribute to diseases such as diabetes and cardiovascular disorders. Certain flavonoids, including quercetin and luteolin, can trap MGO, thereby preventing AGE formation. However, traditional screening methods for identifying MGO-trapping flavonoids are inefficient and not suitable for high-throughput analysis.</p>\n </section>\n \n <section>\n \n <h3> Methods</h3>\n \n <p>In this study, a novel screening approach was developed utilizing electrospray ionization mass spectrometry with data-dependent acquisition and neutral loss scanning (ESI-DDA-NL). Data-dependent acquisition enhances the quality of tandem mass spectra. By analyzing MS/MS fragmentation patterns, flavonoids that had formed adducts with MGO were identified based on a characteristic 72.0206-Da mass increase and a neutral loss fragment (C3H4O2, 72.0206 Da).</p>\n </section>\n \n <section>\n \n <h3> Results</h3>\n \n <p>This approach enabled the rapid identification of 10 active flavonoids from Scutellaria barbata herba extract. Among these, luteolin, quercetin, naringenin, and apigenin were already known MGO-trapping agents, while scutellarein, hispidulin, nepetin, 6-methoxyerythrictyol, 6-methoxynaringenin, and 4'-hydroxywogonin were newly identified as MGO-trapping agents. Scutellarein and hispidulin were further validated through individual MGO reactions.</p>\n </section>\n \n <section>\n \n <h3> Conclusions</h3>\n \n <p>ESI-DDA-NL is an effective method for screening active flavonoids in traditional Chinese medicine that are capable of trapping MGO.</p>\n </section>\n </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 24","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rapid Communications in Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/rcm.10129","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}

引用次数: 0

Abstract

Rationale

Methylglyoxal (MGO) is a highly reactive carbonyl species that modifies proteins, leading to the formation of advanced glycation end products (AGEs), which contribute to diseases such as diabetes and cardiovascular disorders. Certain flavonoids, including quercetin and luteolin, can trap MGO, thereby preventing AGE formation. However, traditional screening methods for identifying MGO-trapping flavonoids are inefficient and not suitable for high-throughput analysis.

Methods

In this study, a novel screening approach was developed utilizing electrospray ionization mass spectrometry with data-dependent acquisition and neutral loss scanning (ESI-DDA-NL). Data-dependent acquisition enhances the quality of tandem mass spectra. By analyzing MS/MS fragmentation patterns, flavonoids that had formed adducts with MGO were identified based on a characteristic 72.0206-Da mass increase and a neutral loss fragment (C3H4O2, 72.0206 Da).

Results

This approach enabled the rapid identification of 10 active flavonoids from Scutellaria barbata herba extract. Among these, luteolin, quercetin, naringenin, and apigenin were already known MGO-trapping agents, while scutellarein, hispidulin, nepetin, 6-methoxyerythrictyol, 6-methoxynaringenin, and 4'-hydroxywogonin were newly identified as MGO-trapping agents. Scutellarein and hispidulin were further validated through individual MGO reactions.

Conclusions

ESI-DDA-NL is an effective method for screening active flavonoids in traditional Chinese medicine that are capable of trapping MGO.

Abstract Image

查看原文本刊更多论文

药用提取物中活性黄酮类化合物捕集甲基乙二醛的靶向筛选——以黄芩为例

理由：甲基乙二醛（MGO）是一种高活性的羰基物质，可以修饰蛋白质，导致晚期糖基化终产物（AGEs）的形成，从而导致糖尿病和心血管疾病等疾病。某些类黄酮，包括槲皮素和木犀草素，可以捕获氧化镁，从而防止AGE的形成。然而，传统的黄酮类化合物筛选方法效率低，不适合高通量分析。方法：在本研究中，利用电喷雾电离质谱与数据依赖获取和中性损失扫描（ESI-DDA-NL）开发了一种新的筛选方法。数据依赖性采集提高了串联质谱的质量。通过MS/MS分析，黄酮类化合物与MGO形成加合物的特征特征为质量增加72.0206-Da和中性损失片段（C3H4O2, 72.0206 Da）。结果：该方法可快速鉴定黄芩提取物中10种活性黄酮类化合物。其中木犀草素、槲皮素、柚皮素和芹菜素是已知的mgo捕获剂，而灯芯草素、hispidulin、nepetin、6-甲氧基赤藓醇、6-甲氧基柚皮素和4'-羟基枸杞素是新发现的mgo捕获剂。通过单独的MGO反应进一步验证了Scutellarein和hispidulin。结论：ESI-DDA-NL是筛选能捕获MGO的中药活性黄酮类化合物的有效方法。

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

Rapid Communications in Mass Spectrometry 化学-分析化学

CiteScore

4.10

自引率

5.00%

发文量

219

审稿时长

2.6 months

期刊介绍： Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.