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Triazavirine supramolecular complexes as modifiers of the peptide oligomeric structure
Alexey V Shvetsov1,2, Yana A Zabrodskaya3, Peter A Nekrasov3
1a Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Centre "Kurchatov Institute" , Orlova Roscha, 188300 Gatchina , Russia .
Abstract:
In this study, we present molecular dynamics simulations of the antiviral drug triazavirine, that affects formation of amyloid-like fibrils of the model peptide (SI). According to our simulations, triazavirine is able to form linear supramolecular structures which can act as shields and prevent interactions between SI monomers. This model, as validated by simulations, provides an adequate explanation of triazavirine's mechanism of action as it pertains to SI peptide fibril formation.
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