Table 1.
Compound | Predicted Scores (kcal/mol) | Predicted Toxicity | |
---|---|---|---|
AutoDock Vina | SwissDock | ||
UBMC-1 | −10.6 | -8.61 | Positive |
UBMC-2 | −10.3 | −8.33 | Positive |
UBMC-3 | −10.0 | −7.41 | Positive |
UBMC-4 | −9.9 | −8.41 | Positive |
UBMC-5 | −9.8 | −7.9 | Negative |
UBMC-6 | −9.8 | −7.63 | Negative |
UBMC-7 | −9.7 | −7.07 | Positive |
UBMC-8 | −9.3 | −7.27 | Negative |
Benznidazole | −6.2 | −6.48 | Positive |