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Choon H. Heh, Rozana Othman, Michael J. C. Buckle, Yusrizam Sharifuddin, Rohana Yusof and Noorsaadah A. Rahman Rational Discovery of Dengue Type 2 Non-Competitive Inhibitors Chemical Biology & Drug Design 82

Article first published online: 21 JUN 2013 | DOI: 10.1111/cbdd.12122

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Compound 1 was found to be the best non-competitive inhibitor of DEN-2 NS2B/NS3. For non-competitive inhibition studies on DEN-2 NS2B/NS3 protease, we propose that an appropriate model should exhibit a conformation of the allosteric binding site that resembles the homology model DH-1. Lys74, Glu88, Gly124 and Asn167 play important roles in the interactions with the non-competitive inhibitors and are worthy of further study.

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