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

Figure 4

Binding poses and atomic interactions between ligands and receptors. (a1, a2, a3) series depicts Andrographolide interactions with the wild-type mutant R155K, and mutant D168A, respectively. (b1, b2, b3) series depicts the same with Asunaprevir and mutants in the same order above (see text for interacting residues). Note: ligands shown in ball-and-stick pattern and interacting residues shown in stick pattern, protein surface. Pink: donor, green: acceptor.