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 10

From the 100 ns simulated interaction diagram, the polar surface area (PSA) of the protein-ligand interaction compounds was estimated, where blue, orange, grey, and yellow colors represent the selected three ligand compounds in contact with the protein, CID-5280343, CID-131750951, CID-131750948, and CID-131752997 respectively.