Table 4.
Best docking poses of active components of N. sativa with N-terminal RNA binding domain (NRBD) of SARS-CoV-2 nucleocapsid protein (PDB ID: 6M3M) in comparison to standard drugs hydroxychloroquine and ivermectin. In AutoDock v4.2.6 analyses, ligand is represented as CPK model colored by- H = White, C = Grey, N = Blue, O = Red, S = Yellow, Pink = other elements. In AutoDock Vina, ligand is represented by 2-D line model, whereas in iGEMDOCK v2.1 analyses, ligand is represented by stick model. Green and blue dotted lines represent H- bond.
| S. No. | Ligands | AutoDock v4.2.6 | AutoDock Vina | iGEMDOCK v2.1 |
|---|---|---|---|---|
| 1. | 24-methylene-cycloartanol |  |
 |
 |
| 2. | Alpha-spinasterol |  |
 |
 |
| 3. | Beta-sitosterol |  |
 |
 |
| 4. | Campesterol |  |
 |
 |
| 5. | Citrostadienol |  |
 |
 |
| 6. | Taraxerol |  |
 |
 |
| 7. | Hydroxychloroquine |  |
 |
 |
| 8. | Ivermectin |  |
 |
 |