Table 2.
Potential drugs’ virtual screening results of molecules from ZINC (ZINC Is Not Commercial) database
| ZINC ID | Name | Structure | Grid score | AMBER scorea |
|---|---|---|---|---|
| Zinc12484881 | l-arginine |
|
−51.2 | −34.9 |
| Zinc01532132 | Aspartame |
|
−52.1 | −30.6 |
| Zinc01532749 | d-arginine |
|
−50.2 | −25.3 |
| Zinc03831612 | Zanamivir |
|
−58.5 | −22.1 |
| Zinc03830273 | Benserazide hydrochloride |
|
−50.5 | −20.1 |
| Oseltamivir carboxylate |
|
−48.6 | −14.9 |
Note:
a
Drugs are sorted according to Assisted Model Building with Energy Refinement (AMBER) score.