Fig. 9 | Scientific Reports

Fig. 9

From: CADD based designing and biological evaluation of novel triazole based thiazolidinedione coumarin hybrids as antidiabetic agent

Fig. 9The alternative text for this image may have been generated using AI.

Representing results for 100 ns MD simulation of I-1 compound (a) Aligned RMSD of I-1 and PPAR-γ complex, (b) Fluctuation of protein residues during the simulation, (c) Representing protein ligand contact points via amino acids residues, (d)Histogram shows the type of protein-ligand interaction, (e) 2D interaction diagram of I-1 with protein residues, (f) Represents plots for Rgyr, intra HB, Molsa, SASA and PSA values of I-1 and (g) The ligand torsions plot summarizes the conformational evolution of every rotatable bond (RB) in the ligand throughout the simulation trajectory.

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