Fig. 3 | Scientific Reports

Fig. 3

From: Computational identification of phytochemicals as glycogen synthase kinase 3 beta (GSK3β) inhibitors for therapeutic applications in chronic diseases

Fig. 3

A hydrophobic surface map of a protein with different ligands highlighting its binding interactions. (A) Shows the overall protein structure with hydrophobic (brown) and hydrophilic (blue) regions, focusing on a key binding site. (B) Control (Tideglusib CID-11313622) displays this site in its unbound state, emphasizing the hydrophobic characteristics. (C) Complex 1 (Uzarigenin CID-92760) and (D) complex 2 (Podolide CID-99535). Zoom into the same binding site, illustrating how different ligands interact with the protein. These panels reveal changes in the binding pocket’s surface properties upon ligand binding, providing insights into the molecular interactions and potential binding affinities of the complexes.

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