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. 2015 Feb 8;12:16. doi: 10.1186/s12985-015-0248-x

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© Raut et al.; licensee BioMed Central. 2015

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Inhibition of DENV-2 NS2b-NS3Pro by MB21 and in silico analysis of the interaction between the two. (A) Inhibition of protease activity of cloned DENV-2 NS2b-NS3Pro as a function of MB21 concentration. (B) Computer generated 2D ligand interaction picture depicting the interaction between MB21 and DENV-2 NS2b-NS3Pro. Hydrophobic residues are shown in green. (C) Interaction of MB21 at the allosteric pocket in the vicinity of the catalytic triad.