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首页> 外文期刊>Pesticide Biochemistry and Physiology >Antimicrobial and antioxidant activities of hydrocarbon and oxygenated monoterpenes against some foodborne pathogens through in vitro and in silico studies
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Antimicrobial and antioxidant activities of hydrocarbon and oxygenated monoterpenes against some foodborne pathogens through in vitro and in silico studies

机译：通过体外和硅研究将碳氢化合物和含氧单波选对某些食物载虫的抗氧化和抗氧化活性进行抗微生物和抗氧化活性

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摘要

The present work describes the antimicrobial action of 25 monoterpenes (six hydrocarbons, five ketones, two aldehydes, six alcohols and six acetate analogues) against Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus and antifungal activity against Aspergillus flavus. The antibacterial activity was evaluated by broth microdilution technique as a minimum inhibitory concentration (MIC) and the antifungal activity was performed by mycelia radial growth technique as the effective concentration causing 50% inhibition of the mycelial growth (EC50). The results showed that thymol and alpha-terpineol were the most potent against E. coli (MIC = 45 and 55 mg/L, respectively) and S. aureus (MIC = 135 and 225 mg/L, respectively). The results also showed that thymol displayed the maximum antifungal action against A. flavus with EC50 20 mg/L. Furthermore, the antioxidant activity was determined using N,N-dimethyl-1,4-phenylenediamine (DMPD) and the results showed that geraniol were the most potent compound (IC50 = 19 mg/L). Molecular docking studies indicated that the compounds displayed different binding interactions with the amino acid residues at the catalytic sites of N5-carboxyaminoimidazole synthetase and oxysterol binding protein Osh4 enzymes. Non-covalent interactions including van der Waals, hydrogen bonding as well as hydrophobic were observed between the compounds and the enzymes. A significant relationship was found between the docking score and the biological activity of the tested monoterpenes compared to the ceftriaxone and carbendazim as standard bactericide and fungicide, respectively. In silico ADMET properties were also performed and displayed potential for the development of promising antimicrobial agents. For these reasons, these compounds may be considered as potential ecofriendly alternatives in food preservation to delay or prevent the microbial infection and prolong the shelf life of food products.
机译：本作者描述了25种单萜（六种烃类，五酮，两种醛，六醇和六乙酸酯和六种乙酸乙酯类似物）的抗微生物作用对抗革兰氏阴性大肠杆菌和革兰氏阳性金黄色葡萄球菌和抗曲霉活性的葡萄球菌。通过肉汤微量稀释技术评估抗菌活性作为最小抑制浓度（MIC），并且通过菌丝菌径向生长技术进行抗真菌活性，作为导致菌丝体生长的50％抑制（EC50）的有效浓度。结果表明，Thymol和α-萜品醇对大肠杆菌（MIC = 45和55mg / L）和S.UURES（MIC = 135和225mg / L）中最有效的效力。结果还表明，百里血针对AC50 20 mg / L的Flavus显示出最大的抗真菌作用。此外，使用N，N-二甲基-1,4-苯二胺（DMPD）测定抗氧化活性，结果表明，大烷是最有效的化合物（IC50 = 19mg / L）。分子对接研究表明，化合物与N5-羧氨基咪唑合成酶和苏克斯醇结合蛋白OSH4酶的催化位点的氨基酸残基显示出不同的结合相互作用。在化合物和酶之间观察到包括van der下游，氢键以及疏水的非共价相互作用。与头孢菌和碳纳西姆作为标准杀菌剂和杀菌剂相比，对接得分和测试单萜的生物活性之间发现了显着的关系。在Silico探险性质中，还表现出并显示出有前途的抗微生物剂的潜力。由于这些原因，这些化合物可以被认为是食物保存的潜在的Ecofriendly替代品，以延迟或预防微生物感染并延长食品的保质期。

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