Table 1.
Tabulated summary of best ranked docking solutions. All compounds were docked to the β-SBD back pocket in both PfHsp70-x and PfHsp70-1.
| Compound | Name | Chemical Formula | PfHsp70-x | PfHsp70-1 | ||
|---|---|---|---|---|---|---|
| Cluster Size | Average Binding Energy (kcal/mol) | Cluster Size | Average Binding Energy (kcal/mol) | |||
| SANC190 | Millecrone A | C15H24O | 75 | −7.13 | 65 | −7.03 |
| SANC451 | Varacin | C10H13NO2S5 | 45 | −8.68 | 39 | −8.73 |
| SANC636 | Montabuphine | C17H19NO4 | 83 | −8.82 | 58 | −8.26 |
| SANC649 | Isopolygodial | C15H2202 | 73 | −7.23 | 31 | −7.16 |
| SANC651 | Warburganal | C15H2203 | 68 | −7.47 | 26 | −7.70 |