Triazoles Synthesis & Applications as Nonsteroidal Aromatase Inhibitors for Hormone-Dependent Breast Cancer Treatment

Figure 4

Representation of possible binding modalities of the newly investigated triazole molecules; heme and iron atoms of the active site of the aromatase enzyme are given in orange and red, respectively, the key protein residues shown as colored dotted. (a) Represents the docking of the natural substrate ASD providing RMSD = 0.705 A°. (b) Represents the newly investigated triazole molecules docked with the active site of aromatase enzyme. (c) Represents 2i occupied the active site of the aromatase enzyme. Copyright 2019. Reproduced with permission from Elsevier.