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_47
Snippet: Our study also reveals that a small molecule previously established as an active site inhibitor is able to inhibit both linked and unlinked Zika NS2B-NS3pro complexes at high affinity. Most importantly, this molecule acts as an allosteric inhibitor for both Zika NS2B-NS3pro complexes, fundamentally different from a recently reported peptidomimetic boronic acid inhibitor which is a competitive inhibitor (25) . This suggests that Zika NS2B-NS3pro i.....
Document: Our study also reveals that a small molecule previously established as an active site inhibitor is able to inhibit both linked and unlinked Zika NS2B-NS3pro complexes at high affinity. Most importantly, this molecule acts as an allosteric inhibitor for both Zika NS2B-NS3pro complexes, fundamentally different from a recently reported peptidomimetic boronic acid inhibitor which is a competitive inhibitor (25) . This suggests that Zika NS2B-NS3pro is susceptible to allosteric inhibition. Furthermore, as this allosteric inhibitor also has a structure scaffold very different from the peptidomimetic boronic acid inhibitor, our discovery might open up a new avenue for the future development of allosteric inhibitors, which is highly demanded to achieve therapeutic inhibition of flaviviral NS2B-NS3pro complexes (35) .
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