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Multi-targeting drugs for SARS-CoV-2. The compounds are identified based on the binding free energies computed using AutoDock Vina for the three viral targets namely 3CLpro, PLpro and RdRp. The binding energies are in kcal/mol.
| Drug | 3CLpro | PLpro | RdRp |
|---|---|---|---|
| DB04016 | 8.8 | 9.4 | 9.5 |
| Phthalocyanine | 8.8 | 9.6 | 10.6 |
| DB08386 | 8.7 | 8.8 | 9.1 |
| Tadalafil | 8.6 | 9.2 | 9.1 |
| Lonafarnib | 8.5 | 8.5 | 9.1 |
| Nilotinib | 8.4 | 8.7 | 9.1 |
| Dihydroergotamine | 8.3 | 8.5 | 9.3 |
| R-428 | 8.3 | 8.7 | 9.4 |
