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Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors

Pach, Szymon; Sarter, Tim M; Yousef, Rafe; Schaller, David; Bergemann, Silke; Arkona, Christoph; Rademann, Jörg; Nitsche, Christoph; Wolber, Gerhard


The pivotal role of viral proteases in virus replication has already been successfully exploited in several antiviral drug design campaigns. However, no efficient antivirals are currently available against flaviviral infections. In this study, we present lead-like small molecule inhibitors of the Zika Virus (ZIKV) NS2B-NS3 protease. Since only few nonpeptide competitive ligands are known, we take advantage of the high structural similarity with the West Nile Virus (WNV) NS2B-NS3 protease. A...[Show more]

CollectionsANU Research Publications
Date published: 2020-04-09
Type: Journal article
Source: ACS medicinal chemistry letters
DOI: 10.1021/acsmedchemlett.9b00629
Access Rights: Open Access


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