Figure 3
From: Metformin is a novel suppressor for transforming growth factor (TGF)-β1
Molecular docking and molecular dynamics simulations for TβRII :metformin and TGF-β1:metformin (a) Structure of the TGF-β1:metformin complex after relaxation. The surface region of TGF-β1 recognized by type II TGF-β receptors (TβRII) is shown in pink. (b) Root-mean-square deviation (RMSD) of TGF-β1 and metformin relative to TGF-β1 during the last 25-ns trajectory. (c) Binding site of metformin consists of the β-sheet1 and β-sheet2 of TGF-β1. (d) Residues in direct contact with metformin (depicted using the LIGPLOT program with a cutoff of 3.9 Å). (e) Structure of the TβRII: metformin complex after relaxation. The surface region of TβRII recognized by TGF-β1 is shown in pink. (f) RMSD of TβRII and metformin relative to TβRII.
