Table 1.
Top 20 predicted drugs identified by MT-DTI against ACE2 (NCBI Reference Sequence: NP_001358344.1) and TMPRSS2 (NCBI Reference Sequence: NP_001128571.1).
| ACE2 | TMPRSS2 | ||
|---|---|---|---|
| Small Molecules | Predicted Kd in nM | Small Molecules | Predicted Kd in nM |
| Pentostatin | 0.02 | Dasatinib | 0.37 |
| Liothyronine | 0.43 | Pentostatin | 0.47 |
| Emtricitabine | 0.45 | Tazemetostat | 2.88 |
| Tiotropium | 0.92 | Tiotropium | 4.03 |
| Obeticholic acid | 0.98 | Eluxadoline | 5.08 |
| Mestranol | 1.02 | Pimecrolimus | 5.79 |
| Gemcitabine | 1.10 | Tacrolimus | 5.82 |
| Levorphanol | 1.30 | Ombitasvir | 5.91 |
| Levallorphan | 1.37 | Brexpiprazole | 6.06 |
| Methscopolamine | 1.40 | Venetoclax | 6.12 |
| Enalaprilat | 1.46 | Daclatasvir | 6.66 |
| Bremelanotide | 1.49 | Tolvaptan | 7.33 |
| Norethynodrel | 1.51 | Aclidinium | 8.46 |
| Epicriptine | 1.56 | Paritaprevir | 8.75 |
| Rolitetracycline | 1.57 | Eprosartan | 9.19 |
| Diacetyl benzoyl lathyrol | 1.77 | Cobimetinib | 10.59 |
| Pizotifen | 1.80 | Entrectinib | 11.08 |
| Dapagliflozin | 1.80 | Lisuride | 11.20 |
| Clobetasol | 1.80 | Erdafitinib | 11.51 |
| Lurasidone | 1.86 | Letermovir | 12.43 |