Fig. 4

Protein-ligand interactions across the binding pocket of AhR LBD. a, b, d, e, f Represent the docked poses of AhRLBD with its ligands at the residues predicted using blind docking approach (c) Represent the docked poses of the AhRLBD with its ligands at the residues predicted using Ligsite server. TCDD is shown in salmon red color sticks, FICZ is shown in cyan color sticks, I3C is shown in light orange color sticks, DIM is shown in green color sticks, RES is shown in purple color sticks, PTL is shown in limon color sticks. AhR LBD residues are shown in sky blue color sticks. Hydrogen bonding interactions were shown in yellow color and hydrophobic interaction were shown in grey color lines. g Represent the bar charts showing the binding energies of each ligand against AhRLBD. h Represent the bar charts showing the log 10 estimated inhibition constants (Ki) by Autodock for each ligand against AhRLBD. i Competitive binding assay of AhR ligands with the AhR-bound ³H-TCDD