Triazavirine supramolecular complexes as modifiers of the peptide oligomeric structure

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Shvetsov A, Zabrodskaya Y, Nekrasov P, Egorov V

Triazavirine supramolecular complexes as modifiers of the peptide oligomeric structure

Journal of Biomolecular Structure and Dynamics. 2017 Sep 12;36(10):2694-2698.

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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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