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 8

The 200 ns simulated interaction diagram was used to calculate the solvent-accessible surface area (SASA) of the protein-ligand interaction complexes, where blue, orange, grey, and yellow represent the selected four ligand compounds in contact with the protein CID-5280343, CID-131750951, CID-131750948, and CID-131752997, respectively.