Table 7.
MolDock score and interacting residues of 1, 2, and 3 to P. falciparum lactate dehydrogenase enzyme (1CET).
| Ligands | MolDock Score (kcal/mol) | Hydrogen Bonding | Steric Interaction |
|---|---|---|---|
| 1 | −154.72 ± 0.48 | Gly99; Thr101 | Gly29 (3); Gly99 (2); Asp53 (3); Val55; Ile119, Thr101 |
| 2 | −147.43 ± 1.16 | Tyr85 (2); Gly99; Glu122 | Ile54 (3); Asp53; Thr101; Val55 (2), Phe52 |
| 3 | −145.56 ± 0.84 | Tyr85 (2); Gly99; Asp53 | Gly29; Gly99 (2); Thr97; Phe52 |
| Chloroquine | −108.99 ± 0.48 | Gly29; Gly99; Ser28 | Gly29; Gly99; Ala98; Asp53 |