Arenaria serpyllifolia as a Natural Antiviolaceum Agent: Phytochemical, Biological, and Molecular Approaches.

IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Meryem Burcu Külahcı, Betül Aydın, Emine Incilay Torunoğlu, Zekeriya Düzgün, Alper Durmaz, Erdi Can Aytar
{"title":"Arenaria serpyllifolia as a Natural Antiviolaceum Agent: Phytochemical, Biological, and Molecular Approaches.","authors":"Meryem Burcu Külahcı, Betül Aydın, Emine Incilay Torunoğlu, Zekeriya Düzgün, Alper Durmaz, Erdi Can Aytar","doi":"10.1002/open.202500236","DOIUrl":null,"url":null,"abstract":"<p><p>This study investigates the antioxidant, antimicrobial, antibiofilm, and antiquorum sensing activities of Arenaria serpyllifolia extract. A methanolic extract from the plant's above-ground parts is prepared via maceration. The extract exhibits strong antioxidant properties (DPPH IC<sub>50</sub>: 355.54 ± 20.62 μg mL<sup>-1</sup>) and iron chelating ability (IC<sub>50</sub>: 5.30 ± 4.44 mg mL<sup>-1</sup>). Total flavonoid and phenolic contents are 75.15 ± 2.73 mg quercetin equivalent g<sup>-1</sup> and 150.83 ± 11.24 mg gallic acid equivalent g<sup>-1</sup>, respectively. Antimicrobial tests show notable activity against Chromobacterium violaceum (minimal inhibitory concentration (MIC) < 5 mg mL<sup>-1</sup>). Antibiofilm effects are significant with 82.52% and 81.32% inhibition at MIC and sub-MIC levels. The extract also inhibits violacein production in the C. violaceum CV12472 strain (90.76% at MIC). Gas chromatography-mass spectrometry analysis identifies seven major compounds, including allyl isothiocyanate and levoglucosan. Molecular docking reveals levoglucosan as the most potent CviR receptor binder (-6.8 kcal mol<sup>-1</sup>). These interactions suggest possible quorum sensing inhibition via antagonism. Molecular dynamics simulations confirm the stability of the ligand-receptor complexes, highlighting guanosine and levoglucosan as promising leads for drug development.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e2500236"},"PeriodicalIF":2.5000,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemistryOpen","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1002/open.202500236","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

This study investigates the antioxidant, antimicrobial, antibiofilm, and antiquorum sensing activities of Arenaria serpyllifolia extract. A methanolic extract from the plant's above-ground parts is prepared via maceration. The extract exhibits strong antioxidant properties (DPPH IC50: 355.54 ± 20.62 μg mL-1) and iron chelating ability (IC50: 5.30 ± 4.44 mg mL-1). Total flavonoid and phenolic contents are 75.15 ± 2.73 mg quercetin equivalent g-1 and 150.83 ± 11.24 mg gallic acid equivalent g-1, respectively. Antimicrobial tests show notable activity against Chromobacterium violaceum (minimal inhibitory concentration (MIC) < 5 mg mL-1). Antibiofilm effects are significant with 82.52% and 81.32% inhibition at MIC and sub-MIC levels. The extract also inhibits violacein production in the C. violaceum CV12472 strain (90.76% at MIC). Gas chromatography-mass spectrometry analysis identifies seven major compounds, including allyl isothiocyanate and levoglucosan. Molecular docking reveals levoglucosan as the most potent CviR receptor binder (-6.8 kcal mol-1). These interactions suggest possible quorum sensing inhibition via antagonism. Molecular dynamics simulations confirm the stability of the ligand-receptor complexes, highlighting guanosine and levoglucosan as promising leads for drug development.

天然抗堇菜剂:植物化学、生物学和分子研究。
研究了丝光砂提取物的抗氧化、抗菌、抗生物膜和抗虫群感应活性。从植物的地上部分通过浸渍制备甲醇提取物。提取物具有较强的抗氧化性能(DPPH IC50: 355.54±20.62 μg mL-1)和铁螯合能力(IC50: 5.30±4.44 mg mL-1)。总黄酮和酚类含量分别为75.15±2.73 mg槲皮素当量g-1和150.83±11.24 mg没食子酸当量g-1。抗菌试验显示对紫色色杆菌(MIC) -1有显著的抑菌活性。抑菌效果显著,MIC和亚MIC水平抑菌率分别为82.52%和81.32%。该提取物还能抑制C. violaceum CV12472菌株的紫罗兰素分泌(MIC值为90.76%)。气相色谱-质谱分析鉴定出七种主要化合物,包括异硫氰酸烯丙酯和左旋葡聚糖。分子对接显示左旋葡聚糖是最有效的CviR受体结合物(-6.8 kcal mol-1)。这些相互作用表明可能通过拮抗抑制群体感应。分子动力学模拟证实了配体-受体复合物的稳定性,强调鸟苷和左旋葡聚糖是药物开发的有希望的线索。
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
ChemistryOpen
ChemistryOpen CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
4.80
自引率
4.30%
发文量
143
审稿时长
1 months
期刊介绍: ChemistryOpen is a multidisciplinary, gold-road open-access, international forum for the publication of outstanding Reviews, Full Papers, and Communications from all areas of chemistry and related fields. It is co-owned by 16 continental European Chemical Societies, who have banded together in the alliance called ChemPubSoc Europe for the purpose of publishing high-quality journals in the field of chemistry and its border disciplines. As some of the governments of the countries represented in ChemPubSoc Europe have strongly recommended that the research conducted with their funding is freely accessible for all readers (Open Access), ChemPubSoc Europe was concerned that no journal for which the ethical standards were monitored by a chemical society was available for such papers. ChemistryOpen fills this gap.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信