Unveiling the molecular composition and biological properties of essential oil derived from the leaves of wild Mentha aquatica L.: A comprehensive in vitro and in silico exploration

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Open Chemistry Pub Date : 2024-07-23 DOI:10.1515/chem-2024-0057

Meryem Tourabi, Asmae Baghouz, Khaoula Faiz, Asmae El Ghouizi, Mohamed Chebaibi, Latifa Zbadi, Najoua Soulo, Samir Ibenmoussa, Ahmad Mohammad Salamatullah, Musaab Dauelbait, Mohammed Bourhia, Badiaa Lyoussi, Elhoussine Derwich

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引用次数: 0

Abstract

The purpose of the current study is to assess the chemical profile, antioxidant, antimicrobial, and insecticide efficacy of essential oil derived from the leaf of Moroccan Mentha aquatica L. (MA-EO) using in vitro and in silico analysis. Using GC-MS/MS analysis, 18 components of MA-EO were identified, including linalool (42.42%), α-elemol (10.45%), α-terpineol (8.07%), linalyl acetate (7.37%), and caryophyllene (4.05%). Additionally, MA-EO has a strong antioxidant capacity with IC50 values of 0.64 ± 0.01 µg/mL using the DPPH assay and 0.167 ± 0.13 µg/mL using the ABTS test. Total antioxidant capacity activities were found to be 188.21 ± 0.31 mg EAA/g, while RP activities were 1.95 ± 0.023. The powerful antibacterial properties of MA-EO were proven to be effective against Escherichia coli and Candida albicans. MA-EO showed insecticidal potential using the fumigation experiment, with an LC50 of 3.33 μL/L in the air after 24 h of exposure. At a dose of 20 µL/mL, MA-EO reduced fertility, fecundity, and emergence of adult C. maculatus. MA-EO had 95% mortality at the same dosage. In silico analysis revealed that the antioxidant activity of MA-EO is linked to γ-eudesmol, while its antibacterial efficacy is associated with phenol, 2,4-di-tert-butyl-, and its antifungal capacity with phenol, 2,4-di-tert-butyl-. MA-EO demonstrates potent bactericidal, fungicidal, and bioinsecticide properties, making it effective for controlling bacteria, fungi, and insect pests in stored grains.

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揭示从野生水生薄荷叶中提取的精油的分子组成和生物特性：体外和硅学综合探索

本研究的目的是通过体外和硅学分析，评估从摩洛哥薄荷叶中提取的精油（MA-EO）的化学成分、抗氧化、抗菌和杀虫功效。通过气相色谱-质谱/质谱分析，确定了 MA-EO 的 18 种成分，包括芳樟醇（42.42%）、α-榄香醇（10.45%）、α-松油醇（8.07%）、乙酸芳樟酯（7.37%）和石竹烯（4.05%）。此外，MA-EO 还具有很强的抗氧化能力，DPPH 试验的 IC50 值为 0.64 ± 0.01 µg/mL，ABTS 试验的 IC50 值为 0.167 ± 0.13 µg/mL。总抗氧化能力为 188.21 ± 0.31 mg EAA/g，而 RP 活性为 1.95 ± 0.023。事实证明，MA-EO 具有强大的抗菌特性，可有效抑制大肠杆菌和白色念珠菌。在熏蒸实验中，MA-EO 显示了杀虫潜力，在空气中暴露 24 小时后的半数致死浓度为 3.33 μL/L。在 20 µL/mL 的剂量下，MA-EO 可降低斑潜蝇成虫的繁殖力、受精率和萌发率。在相同剂量下，MA-EO 的死亡率为 95%。硅学分析表明，MA-EO的抗氧化活性与γ-桉叶油醇有关，其抗菌功效与2,4-二叔丁基苯酚有关，其抗真菌能力与2,4-二叔丁基苯酚有关。MA-EO 具有很强的杀菌、杀真菌和生物杀虫特性，可有效控制储藏谷物中的细菌、真菌和害虫。

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

Open Chemistry CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

3.80

自引率

4.30%

发文量

审稿时长

6 weeks

期刊介绍： Open Chemistry is a peer-reviewed, open access journal that publishes original research, reviews and short communications in the fields of chemistry in an ongoing way. The central goal is to provide a hub for researchers working across all subjects to present their discoveries, and to be a forum for the discussion of the important issues in the field. The journal is the premier source for cutting edge research in fundamental chemistry and it provides high quality peer review services for its authors across the world. Moreover, it allows for libraries everywhere to avoid subscribing to multiple local publications, and to receive instead all the necessary chemistry research from a single source available to the entire scientific community.