*2.5.2 Docking validation with AUC*

Validation of the algorithm used for the docking process was carried out by generating an AUC plot. Decoys of five known inhibitors in complex with *Leishmania* trypanothione reductase of several species of *Leishmania* which included 2,3,4,6-tetra-*O*-acetyl-1-thio-beta-beta-D-glucopyranose (Auranofin); 4- [[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]methyl] thiomorpholine (CHEMBL1277380); 6-sec-butoxy-2-[(3-chlorophenyl)sulfanyl]-4 pyramidinamine (RDS); 2-(diethylamino)ethyl4-((3-(4-nitrophenyl)-3-oxopropyl) amino)benzoate (ZINC8782981); {N}-(4-azanylbutyl)- {N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)- 2-(2-naphthal en-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (H6H)

were retrieved from DUD-E to generate an AUC curve. The result was correlated and plotted using their respective binding energies as the only variable via easyROC (Ver. 1.3) [40].
