Page 92 - Read Online
P. 92
Page 8 of 12 Goyal et al. J Cancer Metastasis Treat 2021;7:18 https://dx.doi.org/10.20517/2394-4722.2020.143
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.
Figure 4. Docking studies on compounds (Cpd) that have pyridine with propargyl ether substituents (Cpd2, Cpd3, Cpd5 and Cpd6).
Figures (A), (B), (C) and (D) show the binding modes of compounds 2, 3, 5 and 6, respectively with the active site of P450 2A6. Figure E
depicts the ligand interactions of compound 6 with the active site residues.
The inhibition studies on our compounds were performed using a Vivid CYP2A6 Kit (Life Technologies,
catalog #PV6140). This kit uses microsomes from insect cells stably expressing human CYP2A6 enzyme. As
such all the enzyme from these microsomes is essentially CYP2A6, eliminating the possibility of the
