Figure 6
From: Interactions of antiparasitic sterols with sterol 14α-demethylase (CYP51) of human pathogens
The lowest energy pose of 2,3-bis-(4-hydroxybenzoyl) derivative of sebiferenic acid is predicted to interact via hydrogen bonding with the heme co-factor in the active site of T. cruzi CYP51. The hydrophobic amino acid residues in the active site offer a favorable binding patch for esterified sterols. The molecular surface diagram is shown in Additional file 1: Figure S4.