Table 4. Best Energy Score for Docking of Drugs into Specified Homology Models Using GOLD and Scoring Docking Poses with Chemscore.
| Chemscore |
|||
|---|---|---|---|
| drug | MthK(1LNQ) | 3F5W | 3F7V |
| S-bupivacaine | 33.5 | 26.9 | –14.4 |
| cavalli-2 | 44.4 | 37.8 | –4.8 |
| cavalli-6 | 41.5 | 35.2 | –7.1 |
| cisapride | 32.7 | 30.3 | –12.8 |
| chloroquine | 34.8 | 30.6 | –10.9 |
| dofetilide | 30.5 | 27.4 | –12.8 |
| E-4031 | 35.2 | 32.3 | –12.2 |
| haloperidol | 37.7 | 33.4 | –13.8 |
| terfenidine | 51.9 | 44.1 | –1.5 |