Author: Amrita Roy; Liangzhong Lim; Shagun Srivastava; Jianxing Song
Title: Unique properties of Zika NS2B-NS3pro complexes as decoded by experiments and MD simulations Document date: 2016_9_28
ID: l82aakrk_22
Snippet: The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/078113 doi: bioRxiv preprint West Nile complex. While it remains unclear whether this molecule inhibits other flaviviral NS2B-NS3pro complexes in a competitive or non-competitive manner, our present results clearly reveal that it inhibits Zika NS2B-NS3pro complexes in a non-competitive manner, fundamentally different from a just reported peptidom.....
Document: The copyright holder for this preprint (which was not peer-reviewed) is the . https://doi.org/10.1101/078113 doi: bioRxiv preprint West Nile complex. While it remains unclear whether this molecule inhibits other flaviviral NS2B-NS3pro complexes in a competitive or non-competitive manner, our present results clearly reveal that it inhibits Zika NS2B-NS3pro complexes in a non-competitive manner, fundamentally different from a just reported peptidomimetic boronic acid inhibitor which competitively inhibited Zika NS2B-NS3pro (25). Our results thus decoded for the first time that Zika NS2B-NS3pro in fact has a pocket, to which small molecules can bind to trigger allosteric inhibition of the enzymatic activity.
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