Amides Derived from Vanillic Acid: Coupling Reactions, Antimicrobial Evaluation, and Molecular Docking

Figure 3

The molecular interactions and surface visualization of the synthesized compounds in the 14α-demethylase enzyme active site (PDB code 3LD6). (a) Best predicted conformers based on docking score (S), (b) most active compound 7, (c) inactive compound 8, and (d–g) category-2 compounds. The ligand is shown in a different color for each pose.

(a)

(b)

(c)

(d)

(e)

(f)

(g)