关键词: Illicium verum antibiofilm chemical composition in silico pathogenic bacteria pharmacokinetics

Mesh : Oils, Volatile / pharmacology chemistry Quorum Sensing Illicium / chemistry Molecular Docking Simulation Biofilms Anti-Bacterial Agents / pharmacology chemistry Bacteria Pseudomonas aeruginosa

来  源:   DOI:10.3390/molecules28237691   PDF(Pubmed)

Abstract:
Illicium verum, or star anise, has many uses ranging from culinary to religious. It has been used in the food industry since ancient times. The main purpose of this study was to determine the chemical composition, antibacterial, antibiofilm, and anti-quorum sensing activities of the essential oil (EO) obtained via hydro-distillation of the aerial parts of Illicium verum. Twenty-four components were identified representing 92.55% of the analyzed essential oil. (E)-anethole (83.68%), limonene (3.19%), and α-pinene (0.71%) were the main constituents of I. verum EO. The results show that the obtained EO was effective against eight bacterial strains to different degrees. Concerning the antibiofilm activity, trans-anethole was more effective against biofilm formation than the essential oil when tested using sub-inhibitory concentrations. The results of anti-swarming activity tested against P. aeruginosa PAO1 revealed that I. verum EO possesses more potent inhibitory effects on the swarming behavior of PAO1 when compared to trans-anethole, with the percentage reaching 38% at a concentration of 100 µg/mL. The ADME profiling of the identified phytocompounds confirmed their important pharmacokinetic and drug-likeness properties. The in silico study using a molecular docking approach revealed a high binding score between the identified compounds with known target enzymes involved in antibacterial and anti-quorum sensing (QS) activities. Overall, the obtained results suggest I. verum EO to be a potentially good antimicrobial agent to prevent food contamination with foodborne pathogenic bacteria.
摘要:
八角,或者八角,有许多用途,从烹饪到宗教。它自古以来就被用于食品工业。这项研究的主要目的是确定化学成分,抗菌,抗生物膜,以及通过加氢蒸馏八角地上部分获得的精油(EO)的抗群体感应活性。鉴定出24种组分,代表所分析的精油的92.55%。(E)-茴香脑(83.68%),柠檬烯(3.19%),α-pine烯(0.71%)是I.verumEO的主要成分。结果表明,所获得的EO对8种细菌均有不同程度的效果。关于抗生物膜活性,使用亚抑制浓度进行测试时,反式茴香脑对生物膜形成比精油更有效。针对铜绿假单胞菌PAO1测试的抗蜂群活性的结果表明,与反式-茴香脑相比,VerumEO对PAO1的蜂群行为具有更有效的抑制作用,在100µg/mL的浓度下,百分比达到38%。已鉴定的植物化合物的ADME分析证实了它们的重要药代动力学和药物相似特性。使用分子对接方法的计算机模拟研究显示,已鉴定的化合物与抗菌和抗群体感应(QS)活性中涉及的已知目标酶之间的结合得分很高。总的来说,获得的结果表明I.verumEO是一种潜在的良好抗菌剂,可以防止食品被食源性致病菌污染。
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