Schinus molle Resin Essential Oil as Potent Bioinsecticide Against Tribolium castaneum: Chemical Profile, In Vitro Acetylcholinesterase Inhibition, DFT Calculation and Molecular Docking Analysis.

IF 4.8 2区生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY Biomolecules Pub Date : 2024-11-18 DOI:10.3390/biom14111464

Wiem Baccari, Ilyes Saidi, Achref Jebnouni, Safa Teka, Sayda Osman, Awatif Mansoor Alrasheeday, Nuzaiha Mohamed, Mabrouka El Oudi, Hichem Ben Jannet

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Abstract

Plants offer a bountiful source of natural pest control solutions through their essential oils. This research introduces and analyzes an eco-friendly natural essential oil for red flour beetle control. Therefore, the current study was included to show the chemical profile and the insecticidal efficacy of resin essential oil (REO) and its fractions (F_1-3), resulting from chromatographic separation, from the plant Schinus molle against Tribolium castaneum adults. The trunk bark resin essential oil and its fractions' composition were analyzed by GC-MS. Overall, 33 constituents with 98.3% of the total EO composition were identified. REO and F_1-3 displayed impressive repellent properties at a concentration of 0.12 µL/cm². After 120 min of exposure, repellency ranged from 73.3% to a remarkable 96.7%. They also exhibited noteworthy fumigant properties, with median lethal doses of LD₅₀ = 120.6-160.8 μL/L. The fractions F₁ and F₃ showed the most notable topical toxicity at a concentration of 10%, with LD₅₀ values of 8.6% and 5.6%, respectively. Fractions F₃ and F₂ demonstrated the most effective inhibition of acetylcholinesterase (AChE) activity, providing insight into their insecticidal mechanisms. The in silico molecular docking and DFT studies corroborate the results of in vitro tests performed to identify new insecticide products derived from natural sources.

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Schinus molle 树脂精油作为有效的生物杀虫剂防治蓖麻毛虫：化学概况、体外乙酰胆碱酯酶抑制、DFT 计算和分子对接分析。

植物通过其精油提供了丰富的天然害虫控制解决方案。本研究介绍并分析了一种用于防治红面粉甲虫的环保型天然精油。因此，目前的研究包括展示树干树皮树脂精油（REO）及其馏分（F1-3）的化学成分和杀虫功效。采用气相色谱-质谱法分析了树干树皮树脂精油及其馏分的成分。共鉴定出 33 种成分，占总精油成分的 98.3%。当浓度为 0.12 µL/cm2 时，REO 和 F1-3 显示出令人印象深刻的驱虫特性。接触 120 分钟后，驱避率从 73.3% 到 96.7% 不等。它们还具有显著的熏蒸特性，中位致死剂量为 LD50 = 120.6-160.8 μL/L。当浓度为 10%时，馏分 F1 和 F3 的局部毒性最为显著，LD50 值分别为 8.6% 和 5.6%。馏分 F3 和 F2 对乙酰胆碱酯酶（AChE）活性的抑制最为有效，这有助于深入了解它们的杀虫机制。硅学分子对接和 DFT 研究证实了体外测试的结果，从而确定了从天然资源中提取的新杀虫剂产品。

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来源期刊

Biomolecules Biochemistry, Genetics and Molecular Biology-Molecular Biology

CiteScore

9.40

自引率

3.60%

发文量

1640

审稿时长

18.28 days

期刊介绍： Biomolecules (ISSN 2218-273X) is an international, peer-reviewed open access journal focusing on biogenic substances and their biological functions, structures, interactions with other molecules, and their microenvironment as well as biological systems. Biomolecules publishes reviews, regular research papers and short communications. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. There is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced.