Table 1.
The top 10 hits and their binding affinities toward CK1α.
| S. No. | Compound ID | Phytochemical Name | Source | Binding Affinity (kcal/mol) | pKi | * Ligand Efficiency |
|---|---|---|---|---|---|---|
| 1. | 443716 | Hydroxysanguinarine | Papaver somniferum | −10.1 | 7.41 | 0.33 |
| 2. | 94577 | Cepharadione A | Piper nigrum | −10.0 | 7.33 | 0.33 |
| 3. | 11035494 | Semiglabrinol | Tephrosia purpurea | −9.9 | 7.26 | 0.30 |
| 4. | 124069 | Dihydrosanguinarine | Fumaria indica | −9.8 | 7.19 | 0.33 |
| 5. | 175941 | Curcusone A | Jatropha curcas | −9.8 | 7.19 | 0.39 |
| 6. | 10144 | Liriodenine | Annona squamosa | −9.8 | 7.19 | 0.38 |
| 7. | 147329 | Corysamine | Meconopsis aculeata | −9.7 | 7.11 | 0.33 |
| 8. | 197018 | Ushinsunine | Michelia champaca | −9.7 | 7.11 | 0.31 |
| 9. | 2754650 | Irenolone | Musa paradisiaca | −9.7 | 7.11 | 0.35 |
| 10. | 442851 | Crinasiatine | Crinum asiaticum | −9.7 | 7.11 | 0.33 |
* Ligand Efficiency values are in (kcal/mol/non-H atom); S. No., serial number.