Docking of Noncompetitive Inhibitors into Dengue Virus Type 2 Protease: Understanding the Interactions with Allosteric Binding Sites

A group of flavanones and their chalcones, isolated from Boesenbergia rotunda L., were previously reported to show varying degrees of noncompetitive inhibitory activities toward Dengue virus type 2 (Den2) protease. Results obtained from automated docking studies are in agreement with experimental da...

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Veröffentlicht in:	Journal of Chemical Information and Modeling 2008-08, Vol.48 (8), p.1582-1591
Hauptverfasser:	Othman, Rozana, Kiat, Tan Siew, Khalid, Norzulaani, Yusof, Rohana, Irene Newhouse, E, Newhouse, James S, Alam, Masqudul, Rahman, Noorsaadah Abdul
Format:	Artikel
Sprache:	eng
Schlagworte:	Allosteric Site Binding sites Chemical compounds Computational Chemistry Dengue Virus - drug effects Dengue Virus - enzymology Ligands Models, Molecular Molecular Structure Molecules Peptide Hydrolases - chemistry Peptide Hydrolases - metabolism Protease Inhibitors - chemistry Protease Inhibitors - pharmacology Proteases Structure-Activity Relationship Studies Viruses
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