# Table 2 The compounds from the Drugbank database and the corresponding binding free energies towards the four vital targets in SARS-CoV-2.

3CLpro PLpro RdRp Spike
$$-$$ 43.6 (Baloxavir marboxil) $$-$$ 35.9 (Natamycin) $$-$$ 43.1 (RU85053) $$-$$ 46.4 (Sonidegib)
$$-$$ 43.2 (LY$$-$$ 2090314) $$-$$ 35.0 (Lumacaftor) $$-$$ 36.1 (Golvatinib) $$-$$ 44.5 (Regorafenib)
$$-$$ 31.6 (Entrectinib) $$-$$ 27.5 (CP-609754) $$-$$ 29.5 (Natamycin) $$-$$ 42.4 (Lifitegrast)
$$-$$ 30.2 (Tadalafil) $$-$$ 23.7 (Zoliflodacin) $$-$$ 27.2 (Lumacaftor) $$-$$ 40.4 (PCO$$-$$ 371)
$$-$$ 27.6 (Tivantinib) $$-$$ 22.6 (Quarfloxin) $$-$$ 18.6 (Dihydroergotamine) $$-$$ 36.2 (Resiniferatoxin)
1. The binding free energies are given in kcal/mol. The free energies are computed using MM-GBSA approach as an average over 500 configurations extracted from molecular dynamics trajectories.