Fig. 2 | Scientific Reports

Fig. 2

From: In vitro assays identified thiohydantoins with anti-trypanosomatid activity and molecular modelling studies indicated possible selective CYP51 inhibition

Fig. 2

Binding mode and molecular interactions of thiohydantoins (balls and sticks in green color) with CYP51. (A) THD1; (B) THD3; (C) THD5. Interacting amino acid residues are represented by sticks in gray color and cofactor HEME in yellow color. The dashed yellow lines represent the H-bond, orange lines Pi-alkyl, light green lines Pi-Pi Stacked, and gray ones metal interaction.

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