Synthesis, Molecular Docking Studies, and Antifungal Activity Evaluation of New Benzimidazole-Triazoles as Potential Lanosterol 14α-Demethylase Inhibitors

Figure 3

(a) The two-dimensional interacting mode of compound 5i in the active region of lanosterol 14-α-demethylase. (b) The three-dimensional interacting mode of compound 5i in the active region of lanosterol 14-α-demethylase. The inhibitor is colored with orange. The HEM molecule is colored green with ball-and-stick model. The binding energy of 5i is −81.998 kcal/mol.

(a)

(b)