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bioRxiv · 10.1101/305615

A double-edged sword: supramolecular complexes of triazavirine display multicenter binding effects which influence aggregate formation

Zabrodskaya, Y. A.·Shvetsov, A. V.·Tsvetkov, V. B.·Egorov, V. V.
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Abstract

Triazavirine (TZV), a small molecule with a broad spectrum of antiviral activity, shows a tendency to induce the aggregation of melittin (MLT), a cationic membrane-disrupting peptide from the poison of the European bee. In MLT:TZV mixtures, high molecular weight precipitates form once a critical MLT:TZV ratio has been exceeded. Molecular dynamics simulation of MLT-TZV interactions, followed by molecular docking, led us to the hypothesis of multicenter binding of TZV supramolecular complexes to MLT.

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Zabrodskaya, Y. A., Shvetsov, A. V., Tsvetkov, V. B., Egorov, V. V.. 2018-04-21. A double-edged sword: supramolecular complexes of triazavirine display multicenter binding effects which influence aggregate formation. https://doi.org/10.1101/305615

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