Table 1.
The compounds selected from the Drugbank database based on their binding affinity for the four vital targets in Covid-19.
| 3CLpro | PLpro | RdRp | Spike |
|---|---|---|---|
| Approved | |||
| Olaparib ( 9.2) | Tadalafil ( 9.2) | Lumacaftor ( 9.9) | Dexamethasone metasulfobenzoate ( 10.4) |
| Baloxavir marboxil ( 8.9) | Metocurine( 9.0) | Ergotamine ( 9.4) | Nilotinib ( 9.9) |
| Entrectinib, (− 8.7) | Lorlatinib ( 9.0) | Natamycin( 9.4) | Sonidegib ( 9.8) |
| Dexamethasone metasulfobenzoate ( 8.7) | Lumacaftor ( 8.9) | Dihydroergotamine ( 9.3) | Enasidenib ( 9.8) |
| Tadalafil ( 8.7) | Natamycin ( 8.8) | Imatinib ( 9.3) | Regorafenib, Lifitegrast, Capmatinib ( 9.7) |
| Investigational | |||
| LY-2090314 ( 10.3) | Zoliflodacin ( 9.8) | Phthalocyanine ( 10.6) | Lifirafenib ( 10.7) |
| 10-hydroxy camptothecin ( 9.3) | JE-2147 ( 9.7) | RU85053 ( 9.9) | Resiniferatoxin ( 10.6) |
| Tivantinib ( 9.0) | Phthalocyanine ( 9.6) | Laniquidar ( 9.9) | JTK-853 ( 10.6) |
| Lurtotecan ( 9.0) | Quarfloxin ( 9.5) | CD564 ( 9.8) | Tegobuvir ( 10.5) |
| Zk-806450 ( 8.9) | CP-609754 ( 9.5) | Golvatinib ( 9.8) | PCO-371 ( 10.5) |
The binding affinities are given in kcal/mol.