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ASP scoring function of PkDHPS inhibitors and their natural substrates.
| Variants | pABA | Sulfadoxine (SDX) | Sulfamethoxazole (SMZ) |
|---|---|---|---|
| Wildtype P. knowlesi | 24.23 | 35.35 | 31.88 |
| Mutant P. knowlesi | |||
| N391S | 24.10 (0.13) | 34.42 (0.93) | 31.71 (0.17) |
| N517S | 24.31 (-0.08) | 36.03 (-0.68) | 31.98 (-0.10) |
Note: ASP scores have no unit and refer to the fitness of ligands. A higher score indicated a high affinity of ligands for the protein. The scores in the bracket refer to the relative docking scores.
