Table 3.
List of ligands that have low binding energy with the COVID-19 RdRp protein.
| Zinc ID/Drug name | 2D structure | Pharmacological | Docking score (kcal/mol) | |||
|---|---|---|---|---|---|---|
| Glide | AutoDock Vina | rDock | ||||
| 1 | ZINC000009212427/Leucal (Leucovorin) |
|
Detoxification | −7.17 | −8.2 | −74.27 |
| 2 | ZINC000008220909/Natamycin |
|
Antifungal | −7.126 | −7.8 | −64.73 |
| 3 | ZINC000150338698/Capastat |
|
Antibiotic | −6.604 | −6.5 | −59.60 |
| 4 | ZINC000029571072/Isavuconazonium |
|
Antifungal | −6.524 | −7.2 | −53.96 |
| 5 | ZINC000009212428/Folinic acid |
|
Chemotherapy | −6.299 | −7.2 | −70.09 |
| 6 | ZINC000008577218/Folic acid |
|
Vitamin | −6.016 | −8.3 | −52.37 |
The results are sorted based on Glide docking score.