In the context of the globally growing problem of resistance to most used antibacterial agents, essential oils offer promising solutions against multidrug-resistant (MDR) bacterial pathogens. The present study aimed to evaluate the prevalence, etiology, and antibiotic-resistance profiles of bacteria responsible for pyogenic infections in Regional Military University Hospital of Constantine. Disc diffusion and broth microdilution (MIC) methods were used to evaluate the antimicrobial activity of essential oils from five Algerian aromatic plants growing wild in the north of Algeria—Salvia officinalis (Sage), Thymus vulgaris (Thyme), Mentha pulegium L. (Mentha), Rosmarinus officinalis (Rosemary), and Pelargonium roseum (Geranium)—against reference and MDR strains. During three months of the prospective study, 112 isolates out of 431 pus samples were identified. Staphylococcus aureus was the most predominant species (25%), followed by Klebsiella pneumoniae (21.42%), Pseudomonas aeruginosa (21%), and Escherichia coli (17.95%). Among pus isolates, 65 were MDR (58.03%). The radial streak-line assay showed that R. officinalis and M. pulegium L. had weak activity against the tested strains, whereas P. roseum showed no activity at all. Meanwhile, T. vulgaris was the most potent, with an inhibition zone of 12–26 mm and an MIC value ranging between 0.25 and 1.25%, followed by S. officinalis with an inhibition zone of 8–12 mm and an MIC value ranging between 0.62 and 2.5%. Generally, A. baumannii and S. aureus ATCC6538P were the most sensitive strains, whereas P. aeruginosa ATCC27853 was the most resistant strain to the oils. Gas chromatography–mass spectrometry analysis of chemical composition revealed the presence of borneol (76.42%) and thymol (17.69%) as predominant in thyme, whereas camphor (36.92%) and α- thujone (34.91%) were the major volatiles in sage. The in-silico study revealed that sesquiterpenes and thymol had the highest binding free energies against the vital enzymes involved in biosynthesis and repair of cell walls, proteins, and nucleic acids compared to monoterpenes. The results demonstrated that T. vulgaris and S. officinalis are ideal candidates for developing future potentially active remedies against MDR strains.

中文翻译：

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阿尔及利亚精油作为抗菌剂对抗从脓液样本中分离出的多重耐药细菌的计算机模拟研究

在全球对大多数常用抗菌剂的耐药性问题日益严重的背景下，精油为对抗多重耐药 (MDR) 细菌病原体提供了有前景的解决方案。本研究旨在评估康斯坦丁地区军事大学医院化脓性感染细菌的流行率、病因学和抗生素耐药性概况。采用纸片扩散和肉汤微量稀释 (MIC) 方法评估了阿尔及利亚北部野生的五种阿尔及利亚芳香植物——鼠尾草(Sage)、百里香(Thyme)、薄荷(Mentha )精油的抗菌活性。 ）、迷迭香（迷迭香）和天竺葵（天竺葵）——针对参考菌株和 MDR 菌株。在三个月的前瞻性研究中，从 431 个脓样本中鉴定出 112 个分离株。金黄色葡萄球菌是最主要的菌种（25%），其次是肺炎克雷伯菌（21.42%）、铜绿假单胞菌（21%）和大肠杆菌（17.95%）。脓液分离株中，MDR 65 株（58.03%）。放射状条纹线测定表明，R. officinalis和M. pulegium L. 对测试菌株具有弱活性，而P. Roseum则完全没有活性。同时，T. vulgaris最强，抑菌圈为 12-26 mm，MIC 值范围为 0.25-1.25%，其次是S. officinalis，抑菌圈为 8-12 mm，MIC 值范围为 0.25% 至1.25%。 0.62 和 2.5%。一般来说，鲍曼不动杆菌和金黄色葡萄球菌ATCC6538P 是对油类最敏感的菌株，而铜绿假单胞菌ATCC27853 是对油类最耐药的菌株。化学成分的气相色谱-质谱分析显示，百里香中主要含有冰片（76.42%）和百里香酚（17.69%），而鼠尾草中主要挥发物为樟脑（36.92%）和α-侧柏酮（34.91%）。计算机研究表明，与单萜相比，倍半萜和百里香酚对参与细胞壁、蛋白质和核酸生物合成和修复的重要酶具有最高的结合自由能。结果表明，T. vulgaris和S. officinalis是开发未来针对 MDR 菌株的潜在活性药物的理想候选者。