AUC	Area under the ROC curve
Bz-PFR-pNA	N-benzoyl-Pro-Phe-Arg-p-nitroanilide hydrochloride
CD	Chagas disease
cTXNPx	Cytoplasmic tryparedoxin peroxidase
CZP	Cruzipain
CZP-TSC	Cruzipain-thiosemicarbazone adduct
DMSO	Dimethyl sulfoxide
DTT	Dithiothreitol
E64 inhibitor	N-[n-(l-3-trans-carboxyoxirane-2-carbonyl)-l-leucyl]-agmatine
EC50	Concentration of the compounded needed to induce a 50% response
FBS	Fetal bovine serum
GAFF2	General Amber force field, second generation
GSH	Glutathione
IMAC	Immobilized metal affinity chromatography
MACCS	Molecular access system fingerprint
MD	Molecular dynamics simulation
MM/PB(GB)SA	Molecular mechanics with Poisson-Boltzmann (PB) or Generalized Born (GB) surface area solvation
MM-GBSA	Molecular mechanics with Generalized Born and surface area solvation
MS	Mass spectrometry
NADPH	Reduced nicotinamide adenine dinucleotide phosphate
NHDF	Normal human dermal fibroblasts
NMR	Nuclear magnetic resonance
NPT	Constant number of particles, pressure, and temperature
NVT	Constant number of particles, volume, and temperature
RMSD	Root mean square deviation
ROC	Receiver Operating Characteristic
SAR	Structure-activity relationships
SASA	Solvent-accessible surface area
SMILES	Simplified molecular input line entry system
T. cruzi	Trypanosoma cruzi
Ta	Tanimoto similarity analysis
t-BuOOH	Tert-butyl hydroperoxide
TcGPx-I	T. cruzi glutathione peroxidase type I
TcTR	T. cruzi trypanothione reductase
TSC	Thiosemicarbazone
TXN	Tryparedoxin
TXN-I	Tryparedoxin 1
ΔGbinding	Binding free energy
ΔGR	R-pose binding free energy
ΔGS	S-pose binding free energy