Table 2.
Biding energies, molecular weight, and targets of anti- GUCY1A2 phytochemicals.
| Compound name | MolDock score | Molecular weight (g/mol) | Target |
|---|---|---|---|
| Methylene blue | −67.2156 | 319.85 | Wild |
| (8′R)-neochrome | −160.75 | 601.88 | Wild, G723S, Q217H, P676L |
| (8′S)-neochrome | −152.102 | 601.88 | Wild, G723S, Q217H, P676L |
| 22-epicalamistrin | −151.131 | 593.43 | Wild, G723S, R381Q |
| 3-beta-O-(E)-feruloylbetulin | −145.363 | 604.86 | Wild, G723S, Q217H, P676L |
| 3-hydroxy-6′-desmethyl-9-O-methylthalifaboramine | −140.511 | 667.77 | Wild, G723S, P676L |
| Aculeatin A | −142.851 | 418.61 | Wild |
| Annoglaucin | −138.378 | 638.92 | Wild, R381Q |
| Bullatetrocin | −137.773 | 638.92 | Wild |
| cis-3-O-p-Hydroxycinnamoyl Ursolic Acid | −138.318 | 602.84 | Wild, G723S |
| Desacetyluvaricin | −144.891 | 606.92 | Wild |
| Foveoglin A | −142.354 | 650.72 | Wild, G723S, Q217H, R381Q |
| Foveoglin B | −144.479 | 650.72 | Wild, G723S, R381Q, P676L |
| Longimicins A | −151.925 | 622.92 | Wild, G723S, R381Q, P676L |
| Melianin B | −137.738 | 694.89 | Wild, Q217H |
| Melianin C | −137.917 | 620.77 | Wild, G723S, Q217H, R381Q |
| Meliavolkinin | −153.697 | 574.7 | Wild, G723S, Q217H, R381Q |
| Muricatetrocin C | −137.563 | 596.88 | Wild P676L |
| Rollidecin A | −138.529 | 638.92 | Wild, G723S |
| Silvestrol | −156.426 | 654.66 | Wild, G723S, Q217H, R381Q |
| Vinblastine | −141.78 | 810.97 | wild, G723S, Q217H, R381Q |