fig3

Figure 3. Docking studies on compounds (Cpd) that have pyridine with imidazole substituents (Cpd1, Cpd4 and Cpd7). Figures (A), (B), (C) and (D) show the binding modes and figures (E), (F), (G) and (H) show the ligand interactions with the active site residues for nicotine and compounds 1, 4 and 7, respectively in the active site of P450 2A6 enzyme.