Table 7.
Top 10 most scoring ligands identified among drugs identified using in silico-based studies for natural products against various drug targets of SARS-CoV-2 and host. The identified leads possess a high probability of drug-likeness and may be tested biologically against SARS-CoV-2 for a better corroboration of current studies made.
| Sr No. | Identified ligandsa | Recognized target |
|---|---|---|
| 1. | Rutin | Mpro |
| 2. | Quercetin-3-vicianoside | Mpro and spike protein |
| 3. | Lignan | Mpro |
| 4. | Embelin | Mpro |
| 5. | Toddacoumaquinone | Mpro |
| 6. | Rhein | Spike glycoproteins and ACE2 |
| 7. | Caulerpin | Mpro |
| 8. | imidazolidin-4-one, 2-imino-1-(4-methoxy-6-dimethylamino-1,3,5-triazin-2-yl) | Mpro |
| 9. | Camptothecin | Mpro |
| 10. | Lamellarin D | Mpro |
a
Only top 10 identified ligand in order of their drug-likeness are illustrated.