Evaluating Andrographolide as a Potent Inhibitor of NS3-4A Protease and Its Drug-Resistant Mutants Using In Silico Approaches

Figure 5

Temperature equilibration of the ligand-protein systems. As can be seen from the plots, the systems for all the ligand-protein complexes readily attained the temperature set at 300 K and maintained it throughout the simulation period. (Note: Asunaprevir is mentioned as STD and Andrographolide as Com 1.)