Drug name | Established function | Connectivity scoreĀ (Ļ) | RdRp docking (PLANTS score) | MPro docking (PLANTS score) | Effect in vitro |
---|---|---|---|---|---|
Reserpine | Vesicular monoamine transporter inhibitor | āĀ 99.94 | N/A | ā 80.72 | ā |
Hydroquinidine | Antiarrhythmic | ā 99.44 | ā 68.79 | ā 79.05 | ā |
Fluoxetine | Selective serotonin reuptake inhibitor (SSRI) | ā 99.20 | ā 77.63 | ā 81.14 | ā |
Maprotiline | Norepinephrine reuptake inhibitor | ā 99.10 | ā 72.42 | ā 76.15 | ā |
Tamoxifen | Estrogen receptor antagonist | ā 98.87 | ā 57.40 | ā 63.05 | ā |
Dextromethorphan | Glutamate receptor antagonist | ā 98.82 | N/A | ā 62.08 | ā |
Phensuximide | Succinimide antiepileptic | ā 98.77 | N/A | ā 66.02 | ā |
Sulpiride | Dopamine receptor antagonist | ā 98.58 | ā 72.36 | ā 64.34 | ā |
Metformin | Insulin sensitizer | ā 98.27 | ā 32.82 | ā 31.63 | ā |
Trifluoperazine | Dopamine receptor antagonist | ā 97.90 | ā 84.29 | ā 84.43 | N |
Sunitinib | FLT3 inhibitor | ā 96.82 | ā 73.52 | ā 80.93 | ā |
Irsogladine | Phosphodiesterase inhibitor | ā 96.78 | ā 60.14 | ā 61.59 | ā |
Atorvastatin | HMGCR inhibitor | ā 96.65 | ā 89.22 | ā 82.17 | Y |
Raloxifene | Estrogen receptor antagonist | ā 96.09 | ā 84.32 | ā 87.57 | N |
Flupentixol | Dopamine receptor antagonist | ā 95.90 | ā 91.70 | ā 91.82 | N/A |
Alprenolol | Adrenergic receptor antagonist | ā 95.62 | ā 68.19 | ā 68.69 | ā |
Bosutinib | ABL inhibitor | ā 94.89 | ā 76.61 | ā 76.87 | ā |
Buflomedil | Adrenergic receptor antagonist | ā 94.76 | ā 63.00 | ā 67.89 | ā |
Guanfacine | Adrenergic receptor agonist | ā 94.09 | ā 59.95 | ā 61.08 | ā |
Epirizole | Cyclooxygenase inhibitor | ā 92.86 | ā 61.37 | ā 67.36 | ā |
Diloxanide | Protein synthesis inhibitor | ā 92.75 | ā 58.14 | ā 58.46 | ā |
Clomipramine | Serotonin transporter inhibitor (SERT) | ā 92.70 | ā 66.44 | ā 78.01 | ā |
Sulfacetamide | PABA antagonist | ā 92.70 | ā 55.60 | ā 54.92 | ā |
Norethindrone | Progesterone receptor agonist | ā 92.69 | N/A | ā 66.15 | ā |
Doxycycline | Bacterial 30S ribosomal subunit inhibitor | ā 92.29 | ā 72.86 | ā 74.47 | Y* |
Butoconazole | Bacterial cell wall synthesis inhibitor | āĀ 92.07 | ā 77.24 | ā 82.92 | ā |