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. 2021 May 23;11(6):787. doi: 10.3390/biom11060787

Table 1.

Top 40 FDA predicted compounds for ACE2–S protein, MPro, and TMPRSS2.

Drug Synonyms Predicted Protein In Silico Score Target CAS
Metaproterenol Sulfate Orciprenaline Sulfate ACE2 −8.05 Others 5874-97-5
Isoprenaline HCl Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 ACE2 −7.44 Adrenergic Receptor 51-30-9
Epinephrine HCl N/A ACE2 −7.12 Adrenergic Receptor 55-31-2
Levosulpiride N/A ACE2 −6.87 Dopamine Receptor 23672-07-3
Metaraminol Bitartrate Metaradrine Bitartrate ACE2 −6.84 Others 33402-03-8
Valganciclovir HCl N/A ACE2 −6.58 Antifection (Anti-Infection) 175865-59-5
Isoprenaline HCl Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 ACE2 −6.45 Adrenergic Receptor 51-30-9
S4817 Atenolol Tenormin, Normiten, Blokium ACE2 −6.35 β1 Receptor, β2 Receptor 29122-68-7
S3783 Echinacoside N/A ACE2 −6.09 Others 82854-37-3
Propafenone Rythmol SR, Rytmonorm ACE2 −6.04 Sodium Channel 34183-22-7
Amikacin sulfate BB-K8 ACE2 −5.98 Antifection 39831-55-5
Pro-Chlorperazine Dimaleate Salt Prochlorperazin, Compazine, Capazine, Stemetil ACE2 −5.79 Dopamine Receptor 30718
Isoetharine Mesylate N/A ACE2 −5.47 Others 7279-75-6
Levosulpiride N/A ACE2 −6.87 Dopamine Receptor 23672-07-3
S5023 Nadolol Corgard, Solgol, Anabet ACE2 −5.16 Androgen Receptor 42200-33-9
Benserazide HCl Ro-4-4602 ACE2 −5.93 Dopamine Receptor 14919-77-8
S3694 Glucosamine (HCl) 2-Amino-2-Deoxy-Glucose HCl ACE2 −5.57 Others 66-84-2
S4701 2-Deoxy-d-Glucose 2-Deoxyglucose, NSC 15193 ACE2 −5.18 Others 154-17-6
Inulin N/A ACE2 −5.18 Others 9005-80-5
Cephalexin Alcephin, Cefablan, Keflex, Cefadin, Tepaxin ACE2 −5.11 Antifection 15686-71-2
S4722 (+)-Catechin Cianidanol, Catechinic Acid, Catechuic Acid MPro −6.73 Others 154-23-4
S4723 (−) Epicatechin l-Epicatechin, (−)-Epicatechol MPro −6.32 Others 490-46-0
S5105 Proanthocyanidins Condensed Tannins MPro −6.19 Others 20347-71-1
Carbenicillin Disodium N/A MPro −5.78 Antifection 4800-94-6
AG-120 (Ivosidenib) N/A MPro −5.52 Dehydrogenase 1448347-49-6
Atorvastatin Calcium N/A MPro −5.39 HMG-CoA Reductase 134523-03-8
Bezafibrate N/A MPro −4.93 PPAR 41859-67-0
PF299804 N/A MPro −4.34 EGFR 1110813-31-4
Bumetanide Bumex TMPRSS2 −6.5 Others 28395-03-1
Aloin Barbaloin TMPRSS2 −6.45 Tyrosinase 1415-73-2
Salbutamol Sulfate Ventolin, Asthalin, Asthavent TMPRSS2 −6.1 Adrenergic Receptor 51022-70-9
S4953 Usnic Acid Usniacin TMPRSS2 −5.8 Others 125-46-2
Avanafil N/A TMPRSS2 −5.62 PDE 330784-47-9
S3612 Rosmarinic Acid Rosemary Acid TMPRSS2 −5.6 IKK-β 20283-92-5
S5105 Proanthocyanidins Condensed Tannins TMPRSS2 −5.51 Others 20347-71-1
Ractopamine HCl N/A TMPRSS2 −5.22 Others 90274-24-1
Neohesperidin Dihydrochalcone Neohesperidin DHC TMPRSS2 −5.2 Others 20702-77-6
Cidofovir Vistide TMPRSS2 −5.18 Others 113852-37-2
Zidovudine Azidothymidine TMPRSS2 −5.02 Reverse Transcriptase 30516-87-1