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. 2020 Jul 29;259:118169. doi: 10.1016/j.lfs.2020.118169

Table 2.

Best FDA approved drugs obtained from Virtual screening.

Ligands Binding energy
(kcal/mol)
Alkaloids based drugs
Ergotamine −10
Dihydroergotamine −9.5



Antiviral
Saquinavir −8.7
Indinavir −8.7



Cardiac glycoside
Digitoxin −9.4
Deslanoside −8.9
Chlorthalidone −8.7



Anticancer compounds
Dactinomycin −9.9
Irinotecan −9.4
Nilotinib −9.4
Plicamycin −9.4
Methotrexate −8.8
Eribulin −8.7
Lanreotide −8.7



Steroid based drugs
Fluocinolone acetonide −8.9
Desoximetasone −8.8
Triamcinolone acetonide −8.7
Betamethasone −8.7



Other drugs
Tadalafil −9
Zafirlukast −8.9
Paliperidone −8.8
Ertapenem −8.7