Figure 14: Binding mode of 14 in GPBAR1 and in LXRα. | Scientific Reports

Figure 14: Binding mode of 14 in GPBAR1 and in LXRα.

From: Hyodeoxycholic acid derivatives as liver X receptor α and G-protein-coupled bile acid receptor agonists

Figure 14

(A) Docking pose in the homology model of GPBAR1. (B) Conformation obtained from MD simulations within the LXRα LBD (PDB code: 3IPU). Compound 14 is represented as cyan sticks. GPBAR1 and LXRα are shown as gray and orange cartoons, respectively. Amino acids important for ligand binding are depicted as sticks. Non-polar hydrogens are omitted for clarity.

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