Table 6.
Summary of anti-SARS-CoV-2 potential of drug ligands.
| Sr. No | Name | Name of Protein to which binding is in active site | anti-SARC-CoV-2 potential |
|---|---|---|---|
| 1 | Ritonavir | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) 2GHV (SARS spike protein receptor binding domain) |
Yes |
| 2 | Lopinavir | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) 6VXS (ADP ribose phosphatase of NSP3 from SARS CoV-2) |
Yes |
| 3 | Remdesivir | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) | Yes |
| 4 | Oseltamivir | – | No |
| 5 | Ribavirin | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) | Yes |
| 6 | Mycophenolic acid (MPA) | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) | Yes |
| 7 | Chloroquine | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) | Yes |
| 8 | Hydroxychloroquine (HCQ) | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) | Yes |
| 9 | Pemirolast | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) 6VXS (ADP ribose phosphatase of NSP3 from SARS CoV-2) |
Yes |
| 10 | Eriodictyol | 6Y84 (Mpro/3CLpro (Main protease of SARS-CoV-2) 6VXS (ADP ribose phosphatase of NSP3 from SARS CoV-2) 6VSB C (Spike glycoprotein) 6W75D (NSP10 – NSP16 Complex from SARS-CoV-2) |
Yes |
| 11 | Isoniazid | – | No |