Table 2. Docking Energy Values (kcal/mol) of FDA-Approved, Enamine Library, and Known Inhibitors Compounds against Aldose Reductase, Calculated by Discovery Studio.
| no. | compound | CDocker energy | CDocker interaction energy |
|---|---|---|---|
| 1 | Aldose_Reductase-IN-2 | –53.28 | –56.53 |
| 2 | 6-Hydroxyluteolin | –49.99 | –41.58 |
| 3 | Enamine_59 (Z929520832) | –48.43 | –52.24 |
| 4 | Enamine_173 (Z2376840565) | –47.98 | –49.84 |
| 5 | Quercetin | –47.56 | –42.30 |
| 7 | Enamine_174 (Z2272685769) | –45.39 | –46.32 |
| 9 | Enamine_103 (Z1603680543) | –43.52 | –51.27 |
| 10 | Enamine_133 (Z1455088903) | –43.35 | –53.11 |
| 11 | Enamine_135 (Z1455087495) | –43.08 | –48.65 |
| 12 | enamine_109 (Z234969329) | –42.72 | –46.08 |
| 14 | Enamine_93 (Z1438237770) | –42.55 | –39.85 |
| 15 | Enamine_73 (Z1603611557) | –42.26 | –49.46 |
| 34 | Adrenalone Hydrochloride | –38.10 | –29.57 |
| 40 | Glycylglycine | –37.07 | –28.83 |
| 42 | Epinephrine Hydrochloride | –36.57 | –31.61 |
| 47 | Akrl B10-IN-1 | –36.16 | –42.48 |
| 85 | Ponalrestat | –30.90 | –44.22 |
| 255 | Epalrestat | –5.42 | –38.12 |