Natural Resources Valorization and Bioengineering Laboratory, University Benyoucef Benkhedda Algiers 1, Alger Centre 16000, Algeria.
Department of Nature and Life Sciences, Faculty of Sciences, Algiers 1 University-Benyoucef Benkhedda, 2 Rue Didouche Mourad, Alger Centre 16000, Algeria.
Molecules. 2024 Aug 30;29(17):4119. doi: 10.3390/molecules29174119.
Essential oils (EOs) and plant extracts, rich in beneficial chemical compounds, have diverse applications in medicine, food, cosmetics, and agriculture. This study investigates the antibacterial activity of nine essential oil constituents (EOCs) against , focusing on the effects of treatment pH and biosynthetic requirements. The impact of EOCs on bacterial inactivation in strains was examined using both nonselective and selective culture media. Computer-assisted drug design (CADD) methods were employed to identify critical binding sites and predict the main binding modes of ligands to proteins. The EOCs, including citral, α-terpinyl acetate, α-terpineol, and linalool, demonstrated significant bacterial inactivation, particularly under acidic conditions. This study revealed that EOCs have an effect on the presence of sublethal damage to both the cytoplasmic membrane and the outer membrane in Gram-negative bacteria. Adding penicillin G to the repair medium prevents the recovery of sublethal injuries in treated with α-terpinyl acetate, α-terpineol, linalool, and citral, indicating that peptidoglycan synthesis is essential for recovering from these injuries. However, penicillin G did not hinder the recovery process of most sublethally injured cells treated with the other assessed EOCs. Molecular docking studies revealed the favorable binding interactions of α-terpinyl acetate, α-terpineol, linalool, and citral with the β-lactamase enzyme Toho-1, indicating their potential as effective antibacterial agents. The findings suggest that EOCs could serve as viable alternatives to synthetic preservatives, offering new strategies for combating antibiotic-resistant bacteria.
精油（EOs）和植物提取物富含有益的化学物质，在医学、食品、化妆品和农业领域具有广泛的应用。本研究调查了九种精油成分（EOCs）对 的抗菌活性，重点研究了处理 pH 值和生物合成要求的影响。使用非选择性和选择性培养基研究了 EOCs 对 菌株中细菌失活的影响。计算机辅助药物设计（CADD）方法用于识别关键结合位点，并预测配体与蛋白质的主要结合模式。包括柠檬醛、α-萜品醇乙酸酯、α-萜品醇和芳樟醇在内的 EOCs 表现出显著的细菌失活作用，特别是在酸性条件下。本研究表明，EOCs 对革兰氏阴性菌的细胞质膜和外膜存在亚致死损伤有影响。在修复培养基中添加青霉素 G 可防止用 α-萜品醇乙酸酯、α-萜品醇、芳樟醇和柠檬醛处理的 恢复亚致死损伤，表明肽聚糖合成对于从这些损伤中恢复是必不可少的。然而，青霉素 G 并没有阻碍用其他评估的 EOCs 处理的大多数亚致死损伤细胞的恢复过程。分子对接研究揭示了 α-萜品醇乙酸酯、α-萜品醇、芳樟醇和柠檬醛与β-内酰胺酶 Toho-1 之间有利的结合相互作用，表明它们有作为有效抗菌剂的潜力。研究结果表明，EOCs 可以作为合成防腐剂的可行替代品，为对抗抗生素耐药菌提供新的策略。
