Discovery of a non-peptidic inhibitor of West Nile virus NS3 protease by high-throughput docking
BACKGROUND: The non-structural 3 protease (NS3pro) is an essential flaviviral enzyme and therefore one of the most promising targets for drug development against West Nile virus (WNV) and dengue infections. METHODOLOGY: In this work, a small-molecule inhibitor of the WNV NS3pro has been identified by automatic fragment-based docking of about 12000 compounds and testing by nuclear magnetic resonance (NMR) spectroscopy of only 22 molecules. Specific binding of the inhibitor into the active...[Show more]
|Collections||ANU Research Publications|
|Source:||PLoS Neglected Tropical Diseases|
|Ekonomiuk_Discovery2009.pdf||426.98 kB||Adobe PDF|
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