Fig. 2 | Scientific Reports

Fig. 2

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

Fig. 2

Molecular docking of Bagrosin and Dehydrocholic acid with PDK3. (A) A cartoon representation showing Bagrosin and Dehydrocholic acid docked at the active site of PDK3, along with residues involved in polar interactions. (B) Localization of Bagrosin in the PDK3 binding pocket. (C) Surface view of PDK3 with Bagrosin bound. (D) 2D interaction diagram illustrating the interactions between Bagrosin and PDK3. (E) Localization of Dehydrocholic acid in the PDK3 binding pocket. (F) Surface view of PDK3 with Dehydrocholic acid bound. (G) 2D interaction diagram illustrating the interactions between Dehydrocholic acid and PDK3.

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