What is it about?

This study suggests 16 compounds (both anti-HCV and anti-HIV) that are able to bind to Zika Virus polymerase (NS5 RdRp) solved structures. Molecular Dynamics Simulation (MDS) for 444 ns then molecular docking is performed (every 10 ns) for the 16 compounds. YAK and setrobuvir then come IDX-184 as the best three binders to ZIKV NS5 RdRp. These results support our past results made on ZIKV NS5 RdRp models built using comparative modeling.

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Why is it important?

YAK, Setrobuvir, and IDX-184 can be used as potent ZIKV binders and subsequently inhibition of the viral protein activity. Modifications to these compounds may lead to more potent inhibition.

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This page is a summary of: Molecular dynamics simulation revealed binding of nucleotide inhibitors to ZIKV polymerase over 444 nanoseconds, Journal of Medical Virology, September 2017, Wiley, DOI: 10.1002/jmv.24934.
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