方法揭示了膜受体 PHO36 是合成抗真菌肽的新靶标。
approach revealed the membrane receptor PHO36 as a new target for synthetic anticandidal peptides.
机构信息
Department of Pathology, Faculty of Medicine, Federal University of Ceará, EP 60430-270, Brazil.
Pharmacogenetics Laboratory, Drug Research & Development Center (NPDM), Federal University of Ceará, Fortaleza, Ceará 60430-275, Brazil.
出版信息
Future Microbiol. 2024;19(17):1463-1473. doi: 10.1080/17460913.2024.2398904. Epub 2024 Sep 23.
Synthetic antimicrobial peptides (SAMPs) present the potential to fight systemic fungal infections. Here, the PHO36 receptor from was analyzed by tools as a possible target for three anticandidal SAMPs: Alb-PepIII, PepGAT and PepKAA. Molecular docking, dynamics and quantum biochemistry were employed to understand the individual contribution of amino acid residues in the interaction region. The results revealed that SAMPs strongly interact with the PHO36 by multiple high-energy interactions. This is the first study to employ quantum biochemistry to describe the interactions between SAMPs and the PHO36 receptor. This work contributes to understanding and identifying new molecular targets with medical importance that could be used to discover new drugs against systemic fungal infections.
合成抗菌肽（SAMPs）具有治疗系统性真菌感染的潜力。本研究采用分子对接、动力学和量子生物化学等方法，对来自的 PHO36 受体进行了分析，探讨了其作为三种抗真菌 SAMPs（Alb-PepIII、PepGAT 和 PepKAA）的潜在靶标。该研究旨在理解相互作用区域中氨基酸残基的个体贡献。结果表明，SAMPs 与 PHO36 受体通过多种高能相互作用强烈相互作用。这是首次利用量子生物化学来描述 SAMPs 与 PHO36 受体之间相互作用的研究。这项工作有助于理解和鉴定具有医学重要性的新分子靶标，可用于发现治疗系统性真菌感染的新药。
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