Table 5.
Finally suggested four drug candidates for COVID-19 with their target information.
| Drug bank ID | Drug name | COVID-19 targets |
Free energy of binding
(Kcal/mol) |
Free energy of binding (Kcal/mol) Re-docking | Prediction score | |
|---|---|---|---|---|---|---|
| 1 | DB13003 | Cortivazol
|
Adaptor protein 2 associated kinase 1 (AAK1) | −9.9 | −10.0 | 0.94 |
| Angiotensin-converting enzyme 2 (ACE2) | −10 | −10.0 | ||||
| Furin | −9.4 | −9.4 | ||||
| 2 | DB12702 | Velusetrag
|
Adaptor protein 2 associated kinase 1 (AAK1) | −9.1 | −8.6 | 0.944 |
| Cyclin-G-associated kinase (GAK) | −10 | −10 | ||||
| 3 | DB05107 | 16-alpha Bromoepiandrosterone
|
Cyclin-G-associated kinase (GAK) | −9.0 | −9.0 | 0.902 |
| Furin | −8.7 | −8.7 | ||||
| 4 | DB12781 | Balaglitazone
|
Adaptor protein 2 associated kinase 1 (AAK1) | −9.9 | −10.1 | 0.946 |
| Cyclin-G-associated kinase (GAK) | −9.6 | −9.7 | ||||
| Furin | −9.1 | −9.1 |
Docking and pre-docking scores in kcal/mol are given which confirm the docking results as valid. Additionally, the prediction results of the drugs from SperoPredictor are also shown here.