Table 1.

Binding affinities (kcal/mol) of the compounds that were selected for further investigation.

Compound	Classification	Glide energies (kcal/mol)
Ritonavir	Protease inhibitor	−71.5
Saquinavir	Protease inhibitor	−77.7
Lopinavir	Protease inhibitor	−56.2
Indinavir	Protease inhibitor	−52.0
Nelfinavir	Protease inhibitor	−65.2
Darunavir	Protease inhibitor	−58.2
Simeprevir	Protease inhibitor	−59.4
Remdesivir	Nucleotide analog	−58.0
Amikacin	Antibiotic	−64.5
Ceftazidime	Antibiotic	−60.5
Baricitinib	Janus kinase inhibitor	−48.8
Suramin	Antiparasitic	−66.3
Hypericin	Anthraquinone derivative	−51.7
Ebselen	Organoselenium drug	−32.2
Ivermectin	Anti-parasitic agent	−40.7
SRT2104	Sirtuin activator	−60.5
SRT1720	Sirtuin activator	−60.5
D,L-Sulforaphane glutathione	Isothiocyanate analog	−61.7
(-)-Epicatechin gallate	Natural flavonoid compound	−64.1
Quercitrin	OliveNetTM	−60.7
β-Hydroxy verbascoside	OliveNetTM	−71.1
β-Hydroxy acteoside	OliveNetTM	−67.7
Isoacteoside	OliveNetTM	−75.1
Verbascoside	OliveNetTM	−76.3
Oxidized verbascoside	OliveNetTM	−71.2
Quercetin 3-O-rutinoside	OliveNetTM	−77.0
Hesperidin	OliveNetTM	−64.0
Rutin	OliveNetTM	−69.3
Luteolin-7,4-O-diglucoside	OliveNetTM	−66.3
Cyanidin-3-O-glucoside	OliveNetTM	−62.7