Table 1 Docking scores of the top 20 hits for Bcl-2.
S. no. | IMPPAT ID | Phytochemical | Medicinal plant | Affinity (kcal/mol) | Ligand efficiency |
|---|---|---|---|---|---|
1. | IMPHY003143 | Withanolide M | Withania somnifera | − 9.5 | 0.28 |
2. | IMPHY002447 | Delavine | Fritillaria delavayi | − 9.4 | 0.31 |
3. | IMPHY001309 | Anabsinthin | Artemisia absinthium | − 9.3 | 0.26 |
4. | IMPHY009438 | Withanolide L | Withania somnifera | − 9.3 | 0.28 |
5. | IMPHY008030 | Hispidogenin | Solanum asperolanatum | − 9.2 | 0.30 |
6. | IMPHY002477 | Zizogenin | Ziziphus jujuba | − 9.1 | 0.28 |
7. | IMPHY009003 | Picrasidine M | Picrasma quassioides | − 9.1 | 0.25 |
8. | IMPHY008834 | Withaphysalin C | Physalis indica | − 9.0 | 0.26 |
9. | IMPHY008964 | Daturilinol | Datura metel | − 9.0 | 0.27 |
10. | IMPHY009264 | Nummularogenin | Ziziphus nummularia | − 8.9 | 0.28 |
11. | IMPHY007909 | Denfigenin | Dendrobium fimbriatum | − 8.9 | 0.29 |
12. | IMPHY005187 | 27-Deoxywithaferin A | Withania somnifera | − 8.9 | 0.27 |
13. | IMPHY002619 | Withacoagin | Withania coagulans | − 8.9 | 0.27 |
14. | IMPHY005148 | Withanolide G | Withania somnifera | − 8.9 | 0.27 |
15. | IMPHY005227 | 17-Hydroxywithanolide-D | Withania somnifera | − 8.9 | 0.25 |
16. | IMPHY005170 | Withanolide O | Withania somnifera | − 8.8 | 0.27 |
17. | IMPHY002121 | Kammogenin | Agave cantala | − 8.8 | 0.28 |
18. | IMPHY002305 | 21α-hydroxyisoglabrolide | Glycyrrhiza glabra | − 8.8 | 0.25 |
19. | IMPHY002700 | Withaphysalin A | Physalis indica | − 8.8 | 0.26 |
20. | IMPHY009120 | Withametelin B | Datura metel | − 8.8 | 0.27 |
21. | Venetoclax | – | – | − 9.1 | 0.15 |
22. | Obatoclax | – | – | − 7.3 | 0.30 |
