Table 1.
Predicted commercial medicines as potential inhibitors against 2019-nCoV Mpro.
| Name | H-bond count | Vital residues for H-bond formation | Medical indications in DrugBank |
|---|---|---|---|
| Colistin | 9 | THR24, THR25, THR26 | Antibiotic |
| Valrubicin | 7 | THR24, THR25, THR26, ASN28, ASN119 |
Anthracycline, antitumor |
| Icatibant | 6 | ASN28, ASN119 | Hereditary angioedema |
| Bepotastine | 5 | THR25, THR26, ASN119 | Rhinitis, uriticaria/puritus |
| Epirubicin | 4 | ASN28, ASN119 | Antitumor |
| Epoprostenol | 4 | ASN119 | Vasodilator, platelet aggregation |
| Vapreotide | 3 | THR24, ASN28, ASN119 | Antitumor |
| Aprepitant | 3 | ASN28, ASN119 | Nausea, vomiting, antitumor |
| Caspofungin | 3 | ASN119 | Antifungal |
| Perphenazine | 2 | ASN28, ASN119 | Antipsychotic |