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采用液相色谱-串联质谱联用(LC-MS/MS)、分子网络和多元数据分析集成方法揭示芥菜叶的功能成分和抗毒力活性。

Unveiling the functional components and antivirulence activity of mustard leaves using an LC-MS/MS, molecular networking, and multivariate data analysis integrated approach.

作者信息

Ibrahim Rana M, M Eltanany Basma, Pont Laura, Benavente Fernando, ElBanna Shahira A, Otify Asmaa M

机构信息

Department of Pharmacognosy, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt.

Department of Analytical Chemistry, Faculty of Pharmacy, Cairo University, Cairo 11562, Egypt.

出版信息

Food Res Int. 2023 Jun;168:112742. doi: 10.1016/j.foodres.2023.112742. Epub 2023 Mar 21.

DOI:10.1016/j.foodres.2023.112742
PMID:37120197
Abstract

Plant extracts have recently received increased attention as alternative sources of antimicrobial agents in the fight against multidrug-resistant bacteria. Non-targeted metabolomics liquid chromatography-quadrupole time-of-flight tandem mass spectrometry, molecular networking, and chemometrics were used to evaluate the metabolic profiles of red and green leaves of two Brassica juncea (L.) varieties, var. integrifolia (IR and IG) and var. rugosa (RR and RG), as well as to establish a relationship between the elucidated chemical profiles and antivirulence activity. In total, 171 metabolites from different classes were annotated and principal component analysis revealed higher levels of phenolics and glucosinolates in var. integrifolia leaves and color discrimination, whereas fatty acids were enriched in var. rugosa, particularly trihydroxy octadecadienoic acid. All extracts demonstrated significant antibacterial activity against Staphylococcus aureus and Enterococcus faecalis, presenting the IR leaves the highest antihemolytic activity against S. aureus (99 % inhibition), followed by RR (84 %), IG (82 %), and RG (37 %) leaves. Antivirulence of IR leaves was further validated by reduction in alpha-hemolysin gene transcription (∼4-fold). Using various multivariate data analyses, compounds positively correlated to bioactivity, primarily phenolic compounds, glucosinolates, and isothiocyanates, were also identified.

摘要

作为对抗多重耐药菌的抗菌剂替代来源,植物提取物最近受到了更多关注。采用非靶向代谢组学液相色谱-四极杆飞行时间串联质谱、分子网络和化学计量学方法,评估了两个芥菜(Brassica juncea (L.))品种,即完整叶变种(IR和IG)和皱叶变种(RR和RG)的红色和绿色叶片的代谢谱,并建立了解析的化学谱与抗毒力活性之间的关系。总共注释了171种不同类别的代谢物,主成分分析显示完整叶变种叶片中的酚类和芥子油苷含量较高,且存在颜色差异,而脂肪酸在皱叶变种中含量丰富,尤其是三羟基十八碳二烯酸。所有提取物对金黄色葡萄球菌和粪肠球菌均表现出显著的抗菌活性,其中完整叶变种IR叶片对金黄色葡萄球菌的抗溶血活性最高(抑制率99%),其次是皱叶变种RR(84%)、完整叶变种IG(82%)和皱叶变种RG(37%)叶片。完整叶变种IR叶片的抗毒力通过α-溶血素基因转录水平降低(约4倍)得到进一步验证。通过各种多元数据分析,还鉴定出了与生物活性呈正相关的化合物,主要是酚类化合物、芥子油苷和异硫氰酸酯。

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