Table 2.
Effective SARS-CoV-2 targets
| Targets | Name | PDB code | Comparison with | The most potent inhibitors | Ref. |
|---|---|---|---|---|---|
| Viral attachment targets | Spike (S) protein to ACE2 receptor | 2AJF:B | With other coronavirus species | - | (Ralph et al., 2020) |
| S-ACE2 | - | reduction of blood cholesterol levels leads to inhibition of the attachment of coronaviruses to host cells | (Baglivo et al., 2020) | ||
| Genome replication targets | Mpro (protease) | 6lu7 | Curcumin | Ribavirin…. | (Kandeel and Al-Nazawi, 2020) |
| RNA-dependent RNA polymerase (RdRp) | 6NUR | Positive control (GTP, UTP)- negative control (Cinnamaldehyde, Thymoquinone) | Sofosbuvir, Ribavirin, and Remdisivir | ||
| Main protease | peptide-like: 6Y2F small molecules: 6W63 |
Crystal structures | Cobicistat, ritonavir, lopinavir, and darunavir | (Pant et al., 2020) | |
| RdRp; modeling | 6NUR | Positive control (GTP, UTP)- negative control (Cinnamaldehyde, Thymoquinone) SARS-CoV-2 RdRp model and SARS HCoV RdRp (PDB ID: 6NUR) and hepatitis C virus (HCV) non-structural protein 5B (NS5B) RdRp (PDB ID: 2XI3) |
Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir | (Elfiky, 2020) | |
| Main protease | 5R7Y, 5R7Z, 5R80, 5R81, 5R82 | - | A dock score of −6.5 or less is considered better | (Shah et al., 2020) | |
| Main protease-3CLpro | 6LU7 | SARS-C0V main protease (1UK4) | - | (Macchiagodena et al., 2020) | |
| SARS-CoV2 E (homolog to SARS-CoV E) | 5X29 | - | Belachinal, Macaflavanone E, and Vibsanol | (Gupta et al., 2020) |