Figure 2 | Scientific Reports

Figure 2

From: Drug repurposing for ligand-induced rearrangement of Sirt2 active site-based inhibitors via molecular modeling and quantum mechanics calculations

Figure 2

Superimposed molecular poses of reference docked complex Sirt2 (green color) with re-docked SirReal2 (green color) on co-crystallized SirReal2 inhibitor (red color) in the crystal structure of Sirt2 (cyan color). Here, complex alignment was performed with respect to ligand and position conformation of the aligned ligands was calculated in terms of RMSD values. Images were rendered using academic Schrödinger-Maestro v12.4 suite43 (URL: https://www.schrodinger.com/freemaestro).

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