Evaluation of Melongosides as Potential Inhibitors of NS2B-NS3 Activator-Protease of Dengue Virus (Serotype 2) by Using Molecular Docking and Dynamics Simulation Approach

Figure 11

During the 200 ns simulation, the interactions between proteins and ligands were discovered, as seen in the stacked bar charts. This section depicts the interaction of four different compounds, where the selected four ligands (a) CID-5280343, (b) CID-131750951, (c) CID-131750948, and (d) CID-442658 are in contact with the protein.

(a)

(b)

(c)

(d)