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Table 1 Results summary

From: Identifying FDA-approved drugs with multimodal properties against COVID-19 using a data-driven approach and a lung organoid model of SARS-CoV-2 entry

Drug name

Established function

Connectivity scoreĀ (Ļ„)

RdRp docking (PLANTS score)

MPro docking (PLANTS score)

Effect in vitro

Reserpine

Vesicular monoamine transporter inhibitor

āˆ’Ā 99.94

N/A

āˆ’ 80.72

ā€“

Hydroquinidine

Antiarrhythmic

āˆ’ 99.44

āˆ’ 68.79

āˆ’ 79.05

ā€“

Fluoxetine

Selective serotonin reuptake inhibitor (SSRI)

āˆ’ 99.20

āˆ’ 77.63

āˆ’ 81.14

ā€“

Maprotiline

Norepinephrine reuptake inhibitor

āˆ’ 99.10

āˆ’ 72.42

āˆ’ 76.15

ā€“

Tamoxifen

Estrogen receptor antagonist

āˆ’ 98.87

āˆ’ 57.40

āˆ’ 63.05

ā€“

Dextromethorphan

Glutamate receptor antagonist

āˆ’ 98.82

N/A

āˆ’ 62.08

ā€“

Phensuximide

Succinimide antiepileptic

āˆ’ 98.77

N/A

āˆ’ 66.02

ā€“

Sulpiride

Dopamine receptor antagonist

āˆ’ 98.58

āˆ’ 72.36

āˆ’ 64.34

ā€“

Metformin

Insulin sensitizer

āˆ’ 98.27

āˆ’ 32.82

āˆ’ 31.63

ā€“

Trifluoperazine

Dopamine receptor antagonist

āˆ’ 97.90

āˆ’ 84.29

āˆ’ 84.43

N

Sunitinib

FLT3 inhibitor

āˆ’ 96.82

āˆ’ 73.52

āˆ’ 80.93

ā€“

Irsogladine

Phosphodiesterase inhibitor

āˆ’ 96.78

āˆ’ 60.14

āˆ’ 61.59

ā€“

Atorvastatin

HMGCR inhibitor

āˆ’ 96.65

āˆ’ 89.22

āˆ’ 82.17

Y

Raloxifene

Estrogen receptor antagonist

āˆ’ 96.09

āˆ’ 84.32

āˆ’ 87.57

N

Flupentixol

Dopamine receptor antagonist

āˆ’ 95.90

āˆ’ 91.70

āˆ’ 91.82

N/A

Alprenolol

Adrenergic receptor antagonist

āˆ’ 95.62

āˆ’ 68.19

āˆ’ 68.69

ā€“

Bosutinib

ABL inhibitor

āˆ’ 94.89

āˆ’ 76.61

āˆ’ 76.87

ā€“

Buflomedil

Adrenergic receptor antagonist

āˆ’ 94.76

āˆ’ 63.00

āˆ’ 67.89

ā€“

Guanfacine

Adrenergic receptor agonist

āˆ’ 94.09

āˆ’ 59.95

āˆ’ 61.08

ā€“

Epirizole

Cyclooxygenase inhibitor

āˆ’ 92.86

āˆ’ 61.37

āˆ’ 67.36

ā€“

Diloxanide

Protein synthesis inhibitor

āˆ’ 92.75

āˆ’ 58.14

āˆ’ 58.46

ā€“

Clomipramine

Serotonin transporter inhibitor (SERT)

āˆ’ 92.70

āˆ’ 66.44

āˆ’ 78.01

ā€“

Sulfacetamide

PABA antagonist

āˆ’ 92.70

āˆ’ 55.60

āˆ’ 54.92

ā€“

Norethindrone

Progesterone receptor agonist

āˆ’ 92.69

N/A

āˆ’ 66.15

ā€“

Doxycycline

Bacterial 30S ribosomal subunit inhibitor

āˆ’ 92.29

āˆ’ 72.86

āˆ’ 74.47

Y*

Butoconazole

Bacterial cell wall synthesis inhibitor

āˆ’Ā 92.07

āˆ’ 77.24

āˆ’ 82.92

ā€“

  1. This table includes a compilation of the results obtained from the connectivity mapping analysis, the chemoinformatic analyses, and the in vitro drug tests using the lung organoid model. The table is ordered according to each drugā€™s connectivity mapping score.Ā Bold values indicate those that survive our cut-offs (Ļ„ < āˆ’ 90.00 for the connectivity mapping analysis; PLANTS score < āˆ’ 80.00 for the chemoinformatic analyses),Ā or whether a dose-dependent effect was observed in the corresponding in vitro testĀ (yes/no). N/A: the drug was associated with a very low PLANTS score, or the drug was unavailable for in vitro testing (i.e., flupentixol). Y: the drug was tested in vitro and showed a promising inhibitory effect. Y*: the drug was the positive control (doxycycline) and showed an inhibitory effect in vitro. N: the drug was tested in vitro but did not show an inhibitory effect in the lung organoid model. Dashes ('ā€“') represent drugs that were not tested in vitro