Figure 8.

Speculative model for myricetin to allosterically inhibit the dengue protease. In solution, the dengue NS2B-NS3 protease exists in conformational equilibrium between the active (A) and inactive (C) forms. Myricetin achieves the allosteric inhibition of the dengue NS2B-NS3 protease by binding to the active form at AS2 to destabilize the active conformation (B) or/and by binding to the inactive form at both AS1 and AS2 to stabilize/lock the inactive conformation (D), both of which lead to the inhibition of the catalytic activity although AS1 and AS2 have no overlap with the active site.