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Figure 6 | Chemistry Central Journal

Figure 6

From: A combined 3D-QSAR and docking studies for the In-silicoprediction of HIV-protease inhibitors

Figure 6

2D and 3D docking representations. A representation of docking interactions and poses of most active and least active molecules with wild type and mutated HIV-protease protein via 2D and 3D representations. a-d most active compound (32) interacted with important active site residues of wild type and mutated proteins, respectively. Similarly, e-h represents interactions of least active compound within binding pocket of wild type and mutated proteins to show how the compound 46 lost its interactions and activity due to conformational change occurred in response to mutation.

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