Fig. 3 | Scientific Reports

Fig. 3

From: Exploring PDK3 inhibition in lung cancer through drug repurposing for potential therapeutic interventions

Fig. 3

Structural dynamics of PDK3 in the presence of Bagrosin (Red) and Dehydrocholic acid (Green). (A) RMSD plot comparing the structural deviations of PDK3 with and without the compounds. (B) RMSF plot showing residue-level fluctuations of PDK3 in the presence and absence of Bagrosin and Dehydrocholic acid. (C) Probability Density Function (PDF) plot of RMSD before and after Bagrosin and Dehydrocholic acid binding to PDK3. (D) PDF plot of RMSF before and after Bagrosin and Dehydrocholic acid binding to PDK3.

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