Table 5 Represents top compounds by docking against PfGST_a with interactions to key amino acids
Compound | FlexX score | Interaction to Key AA' |
|---|---|---|
ZINC03989574 | -50.586 | 10111 |
ZINC03989578 | -49.698 | 11101 |
ZINC04847284 | -49.698 | 11101 |
ZINC03930012 | -48.396 | 10000 |
ZINC04522767 | -47.633 | 11100 |
ZINC05808725 | -47.006 | 01011 |
ZINC04068384 | -46.956 | 01011 |
ZINC03948265 | -46.286 | 11100 |
ZINC02748596 | -46.117 | 11111 |
ZINC02102883 | -46.016 | 01011 |