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阿勒颇松、乳香黄连木和致密牛至对从尿路感染中分离出的腐生葡萄球菌的抗菌和抗生物膜活性:体外和计算机模拟分析

Antibacterial and Antibiofilm Activities of Pinus halepensis, Pistacia lentiscus, and Origanum compactum Against Staphylococcus saprophyticus Isolated From Urinary Tract Infections: In Vitro and In Silico Analysis.

作者信息

Aniba Rafik, Dihmane Asmaa, Raqraq Habiba, Ressmi Amina, El Megdar Soufiane, Nayme Kaotar, Timinouni Mohammed, El Idrissi Mohammed, Mrabti Hanae Naceiri, Abouddihaj Barguigua

机构信息

Team of Biotechnology & Sustainable Development of Natural Resources, Department of Biology, Polydisciplinary Faculty, Sultan Moulay Slimane University, Beni Mellal, Morocco.

Laboratoire de bactériologie moléculaire, Institut Pasteur du Maroc, Casablanca, Morocco.

出版信息

Chem Biodivers. 2025 Aug 14:e01236. doi: 10.1002/cbdv.202501236.

Abstract

This study evaluated the antimicrobial and antibiofilm properties of essential oils (EOs) from Pinus halepensis, Pistacia lentiscus, and Origanum compactum, both in vitro and in silico, and examined their synergistic effects with conventional antibiotics against Staphylococcus saprophyticus isolates. The compositions of the EOs were identified by gas chromatography-mass spectrometry, and their antibacterial activity was determined using the disk diffusion, broth microdilution, and time-kill assays. Antibiofilm activities were assessed using the microtiter plates method. The synergies effects between antibiotics and EOs were evaluated using a checkerboard assay. Molecular docking with AutoDock Vina was used to assess the binding affinities of major EOs compounds to key proteins associated with antibiotic resistance and biofilm formation. Phytochemical analysis identified β-caryophyllene, myrcene, α-pinene, and thymol as the major components of EOs. In vitro, all tested EOs exhibited antibacterial and antibiofilm activity by inhibiting biofilm formation, rather than eradicating established biofilm, in a concentration-dependent manner. In silico molecular docking revealed that these major components possessed strong antibacterial and antibiofilm potential. Absorption, distribution, metabolism, and excretion (ADME) profiling indicated their promise as drug candidates with favorable pharmacokinetic properties. This study contributes to ongoing efforts to identify alternative strategies to combat antimicrobial resistance, particularly in infections that are challenging to treat in clinical settings.

摘要

本研究在体外和计算机模拟条件下评估了阿勒颇松、乳香黄连木和致密牛至精油(EOs)的抗菌和抗生物膜特性,并研究了它们与传统抗生素对腐生葡萄球菌分离株的协同作用。通过气相色谱-质谱联用仪鉴定了EOs的成分,并使用纸片扩散法、肉汤微量稀释法和时间杀菌试验测定了它们的抗菌活性。使用微量滴定板法评估抗生物膜活性。使用棋盘法评估抗生素和EOs之间的协同作用。使用AutoDock Vina进行分子对接,以评估主要EOs化合物与抗生素耐药性和生物膜形成相关关键蛋白的结合亲和力。植物化学分析确定β-石竹烯、月桂烯、α-蒎烯和百里香酚为EOs的主要成分。在体外,所有测试的EOs均通过抑制生物膜形成表现出抗菌和抗生物膜活性,而非消除已形成的生物膜,且呈浓度依赖性。计算机模拟分子对接显示,这些主要成分具有强大的抗菌和抗生物膜潜力。吸收、分布、代谢和排泄(ADME)分析表明它们有望成为具有良好药代动力学特性的候选药物。本研究有助于持续努力寻找对抗抗菌耐药性的替代策略,尤其是在临床环境中难以治疗的感染方面。

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