Barboucha Ghozlane, Rahim Noureddine, Bramki Amina, Boulebd Houssem, Andolfi Anna, Boulacheb Khaoula, Boulacel Amina, Salvatore Maria Michela, Masi Marco
Biotechnology Laboratory, Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, Constantine 25100, Algeria.
Laboratory of Bio Engineering, Higher National School of Biotechnology Taoufik Khaznadar, Nouveau Pôle Universitaire Ali Mendjeli, Constantine 25100, Algeria.
Int J Mol Sci. 2025 May 15;26(10):4754. doi: 10.3390/ijms26104754.
This study investigated the phytochemical composition and biological activities of essential oil (EO) from Algeria, focusing on its antimicrobial, antifungal, and insecticidal properties using in vitro and in silico approaches. Gas chromatography-mass spectrometry (GC-MS) analysis identified myrtenyl acetate (57.58%), 1,8-cineole (17.82%), and α-terpineol (6.82%) as the major constituents. EO exhibited significant antibacterial activity, particularly against (13.00 ± 0.70 mm) and (13.00 ± 1.50 mm), with moderate inhibition of (10 ± 1.00 mm) and (9.00 ± 0.70 mm), while showed resistance. The antifungal activity was notable against (16.50 ± 0.50 mm), (11.00 ± 1.00 mm), and sp. (9.00 ± 0.60 mm) but ineffective against . Insecticidal activity against was evaluated using contact toxicity, fumigation toxicity, and repellent activity assays. The EO demonstrated potent insecticidal effects, with an LC value of 0.029 µL/insect for contact toxicity and 162.85 µL/L air for fumigation after 96 h. Additionally, the EO exhibited strong repellent activity, achieving 99.44% repellency at a concentration of 0.23 mg/cm after 24 h. Density functional theory (DFT) calculations provided insights into the molecular geometry and electronic properties of the key bioactive compounds. Molecular docking studies evaluated their binding affinities to bacterial enzymes (, , and ) and insecticidal targets (), revealing strong interactions, particularly for geranyl acetate and methyleugenol. These findings highlight EO as a promising natural antimicrobial and insecticidal agent, with potential applications in plant protection and biopesticide development.
本研究调查了来自阿尔及利亚的精油（EO）的植物化学成分和生物活性，采用体外和计算机模拟方法重点研究了其抗菌、抗真菌和杀虫特性。气相色谱 - 质谱（GC - MS）分析确定乙酸桃金娘酯（57.58%）、1,8 - 桉叶素（17.82%）和α - 松油醇（6.82%）为主要成分。EO表现出显著的抗菌活性，尤其对（抑菌圈直径为13.00 ± 0.70毫米）和（抑菌圈直径为13.00 ± 1.50毫米），对（抑菌圈直径为10 ± 1.00毫米）和（抑菌圈直径为9.00 ± 0.70毫米）有中等抑制作用，而表现出抗性。抗真菌活性对（抑菌圈直径为16.50 ± 0.50毫米）、（抑菌圈直径为11.00 ± 1.00毫米）和sp.（抑菌圈直径为9.00 ± 0.60毫米）显著，但对无效。使用接触毒性、熏蒸毒性和驱避活性测定评估了对的杀虫活性。EO表现出强大的杀虫效果，接触毒性的LC值为0.029微升/昆虫，96小时后熏蒸毒性为162.85微升/升空气。此外，EO表现出很强的驱避活性，在24小时后浓度为0.23毫克/平方厘米时驱避率达到99.44%。密度泛函理论（DFT）计算提供了对关键生物活性化合物的分子几何结构和电子性质的见解。分子对接研究评估了它们与细菌酶（、和）和杀虫靶点（）的结合亲和力，揭示了强烈的相互作用，特别是对于乙酸香叶酯和甲基丁香酚。这些发现突出了EO作为一种有前途的天然抗菌和杀虫剂，在植物保护和生物农药开发中具有潜在应用。
