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Published on: January 26, 2016
In silico approach revealed the membrane receptor PHO36 as a new target for synthetic anticandidal peptides
Francisco Es Lopes1, Pedro Fn Souza2,3,4, Daiane Ms Brito2
1Department of Pathology, Faculty of Medicine, Federal University of Ceará, EP 60430-270, Brazil.
Abstract:
Aim: Synthetic antimicrobial peptides (SAMPs) present the potential to fight systemic fungal infections. Here, the PHO36 receptor from Candida albicans was analyzed by in silico tools as a possible target for three anticandidal SAMPs: RcAlb-PepIII, PepGAT and PepKAA.Materials & methods: Molecular docking, dynamics and quantum biochemistry were employed to understand the individual contribution of amino acid residues in the interaction region.Results: 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.Conclusion: 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.
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