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. 2020 Nov 5;10:19125. doi: 10.1038/s41598-020-75762-7

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.