Table 2.
Docking score of Azadirachta indica phytochemicals against drugable targets of SARS-CoV-2 virus.
| Protein | PubChem ID | Compound Name | Docking Score (Kcal/mole) |
|---|---|---|---|
| Mpro | |||
| 10813969 | Isoquercetin | -9.73 | |
| 97343-95-8 | VEPAOL | -9.43 | |
| 29803-85-8 | Nimbidiol | -6.8 | |
| 11334829 | Nimbidiol | -6.62 | |
| 21725519 | Vilasinin | -6.55 | |
| 13875774 | Nimbocinolide | -6.44 | |
| 5280863 | Kaempferol | -6.35 | |
| 102090424 | Melianin B | -6.33 | |
| 185704 | Salannic (nimbidic) Acid | -6.27 | |
| 102146586 | Azadirachtanin | -6.19 | |
| 23256847 | Azadirachtol | -6.18 | |
| 6442906 | Nimocinolide | -6.1 | |
| 105404-75-9 | Margosinolide | -6.03 | |
| Spike | |||
| 10813969 | Isoquercetin | -8.22 | |
| 97343-95-8 | VEPAOL | -7.71 | |
| 5280863 | Kaempferol | -6.24 | |
| RdRp | |||
| 10813969 | Isoquercetin | -6.86 | |
| 184310 | Isonimocinolide | -6.29 | |
Docking Score with cutoff <−6.0 kcal/mole is considered.