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

Figure 6

Protein backbone RMSD calculation plots for ligand bound complexes. Asunaprevir perturbs backbone of the protein mutant R155K (curve in blue) more than Andrographolide (curve in black). Surprisingly, Andrographolide seems to disturb protein structure for the mutant D168A more than Asunaprevir (check cyan curve for Asunaprevir and red for Andrographolide). (Note: Asunaprevir is mentioned as STD and Andrographolide as Com 1.)