Comparative metabolomic study of twelve Acacia species by UHPLC-q-tof-ESI-MS coupled with chemometrics in correlation with antibacterial activity.

IF 2.5 3区 医学 Q3 CHEMISTRY, MEDICINAL Fitoterapia Pub Date : 2025-01-05 DOI:10.1016/j.fitote.2025.106378
Salma Elshamy, Nikolai Kuhnert, Mohamed El-Shazly, James Ziemah, Heba Handoussa
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Abstract

Genus Acacia comprises around 1500 species. They are widely used to treat inflammation as well as bacterial and fungal infections as they are enriched in phytochemicals, especially phenolics. The aim of this study was to evaluate the antibacterial activity of leaves' methanolic extracts of twelve Acacia species growing in Egypt against Vibrio parahaemolyticus, Salmonella enterica, Listeria monocytogens, Klebsiella pnemoniae, Bacillus aquimaris, Bacillus subtilis, and Escherichia coli. These species are Acacia nilotica (wild and cultivated), Acacia seyal, Acacia auriculiformis, Acacia saligna, Acacia xanthophloea, Acacia tortilis subsp. raddiana (Gabal Elba and Aswan), Acacia tortilis, Acacia laeta (wild and cultivated), and Acacia albida. Furthermore, to study the metabolomic composition and variation among these species using ultra-high-performance liquid chromatography-electrospray ionization quadrupole time of flight mass spectrometry (UHPLC-q-tof-ESI-MS) coupled with multivariate statistical analysis and correlate it to the antibacterial potential. Results showed that Acacia nilotica (AN) has superior antibacterial activity over the other species. In addition, it exhibited a distinct segregation in Principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA). Full profiling of AN using UHPLC-ESI-q-tof-MS revealed 42 phenolics mainly catechins. It was further subjected to bio-guided fractionation and revealed the presence of methyl gallic acid, gallic acid, catechin gallate, and digallate isomers in its most bioactive fraction. These compounds were identical to the compounds annotated as VIPs and were responsible for the segregation of AN in both PCA and PLS-DA analyses. Hence, this study sheds light on the use of chemometrics as an early tool for the detection of bioactive compounds.

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UHPLC-q-tof-ESI-MS联合化学计量学对12种金合欢植物抗菌活性的比较代谢组学研究。
金合欢属大约有1500种。它们被广泛用于治疗炎症以及细菌和真菌感染,因为它们富含植物化学物质,尤其是酚类物质。摘要研究了埃及12种刺槐叶片甲醇提取物对副溶血性弧菌、肠炎沙门氏菌、单核细胞增生李斯特菌、肺炎克雷伯菌、水生芽孢杆菌、枯草芽孢杆菌和大肠杆菌的抑菌活性。这些物种是尼罗金合欢(野生和栽培)、金合欢、金合欢、金合欢、金合欢、金合欢、金合欢亚种。金合欢(Gabal Elba和Aswan),金合欢(Acacia tortilis),金合欢(Acacia laeta)(野生和栽培)和金合欢。利用超高效液相色谱-电喷雾电离四极杆飞行时间质谱(UHPLC-q-tof-ESI-MS)结合多元统计分析,研究不同菌种的代谢组学组成及其差异,并将其与抗菌潜力进行关联。结果表明,尼罗刺槐(Acacia nilotica, AN)具有较好的抗菌活性。在主成分分析(PCA)和偏最小二乘判别分析(PLS-DA)中表现出明显的分离性。用UHPLC-ESI-q-tof-MS对AN进行了全面分析,发现了42种酚类物质,主要是儿茶素。进一步对其进行生物引导分离,发现其最具生物活性的部分中存在甲基没食子酸、没食子酸、儿茶素没食子酸酯和二消子酸异构体。这些化合物与标注为vip的化合物相同,并且在PCA和PLS-DA分析中负责AN的分离。因此,这项研究揭示了化学计量学作为检测生物活性化合物的早期工具的使用。
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来源期刊
Fitoterapia
Fitoterapia 医学-药学
CiteScore
5.80
自引率
2.90%
发文量
198
审稿时长
1.5 months
期刊介绍: Fitoterapia is a Journal dedicated to medicinal plants and to bioactive natural products of plant origin. It publishes original contributions in seven major areas: 1. Characterization of active ingredients of medicinal plants 2. Development of standardization method for bioactive plant extracts and natural products 3. Identification of bioactivity in plant extracts 4. Identification of targets and mechanism of activity of plant extracts 5. Production and genomic characterization of medicinal plants biomass 6. Chemistry and biochemistry of bioactive natural products of plant origin 7. Critical reviews of the historical, clinical and legal status of medicinal plants, and accounts on topical issues.
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