Chemical Profiling and In Vitro Assessment of Antioxidant and Antimicrobial Properties of Algerian Erica arborea L. Extracts, Strengthened by Molecular Modeling Analysis

IF 3 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

ChemistryOpen Pub Date : 2026-08-04 DOI:10.1002/open.70271

Amina Bramki, Ouided Benslama, Fatima Zohra Makhlouf, Anna Andolfi, Zineb Mokhbi, Selsabile Nedjaoum, Chawki Bensouici, Maria Michela Salvatore, Marco Masi

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Abstract

This study aimed to valorize Erica arborea L. collected in Algeria by characterizing its chemical composition and assessing the biological potential of its organic extracts. The aerial nonflowering parts were extracted using solvents of increasing polarity, allowing evaluation of chemical and biological properties of extracts. Phytochemical assays revealed that the ethyl acetate (EtOAc) fraction contained the highest levels of total polyphenols (419.58 ± 1.89 µg GAE/mg), flavonoids (174.57 ± 1.93 µg QE/mg), and flavonols (61.64 ± 2.49 µg QE/mg). GC–MS profiling confirmed the presence of several bioactive constituents, supporting its rich chemical composition. Antioxidant activity highlighted the superiority of EtOAc extract, with IC₅₀ of 5.07 ± 0.63 μg/mL in the ABTS^•+ assay, 26.96 ± 1.16 μg/mL in the DPPH^• assay, and an A_0.5 of 18.14 ± 0.57 μg/mL in the FRAP test, while the phenanthroline assay showed strong reducing power across all extracts (A_0.5 = 1.25 ± 0.05–6.72 ± 0.15 μg/mL). Antimicrobial activity revealed that the EtOAc fraction exhibited notable activity against Staphylococcus aureus (19.33 ± 0.57 mm) and Bacillus subtilis (19.0 ± 1.0 mm), while all fractions showed antifungal activity against Candida albicans and Fusarium oxysporum. Molecular docking on xanthine oxidase and DNA gyrase (GyrA and GyrB) revealed favorable interactions of several metabolites, supporting the antioxidant and antibacterial activities observed experimentally.

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阿尔及利亚艾瑞卡提取物的化学特征及抗氧化和抗菌性能体外评价，并通过分子模拟分析得到强化。

本研究旨在通过表征其化学成分和评估其有机提取物的生物潜力，对阿尔及利亚采收的爱丽卡进行价值评价。利用极性增加的溶剂提取地生不开花部分，对提取物的化学和生物学特性进行了评价。植物化学分析表明，乙酸乙酯（EtOAc）部位总多酚（419.58±1.89µg GAE/mg）、总黄酮（174.57±1.93µg QE/mg）和总黄酮醇（61.64±2.49µg QE/mg）含量最高。GC-MS分析证实了几种生物活性成分的存在，支持其丰富的化学成分。EtOAc提取物的抗氧化活性较强，ABTS•+实验的IC50为5.07±0.63 μg/mL， DPPH•实验的IC50为26.96±1.16 μg/mL， FRAP实验的IC50为18.14±0.57 μg/mL，而菲罗啉实验的A0.5 = 1.25±0.05-6.72±0.15 μg/mL，显示出较强的还原能力。抑菌活性表明，乙酸乙酯组分对金黄色葡萄球菌（19.33±0.57 mm）和枯草芽孢杆菌（19.0±1.0 mm）的抑菌活性显著，对白色念珠菌和oxysporum镰刀菌均有抑菌活性。黄嘌呤氧化酶和DNA回转酶（GyrA和GyrB）的分子对接揭示了几种代谢物的良好相互作用，支持了实验观察到的抗氧化和抗菌活性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

ChemistryOpen CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

4.80

自引率

4.30%

发文量

143

审稿时长

1 months

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