Table 1.
List of top drugs docked to the central domain of COVID-19 virus Mpro substrate-binding pocket based on S score.
| Drug | S score (Kcal / mol) | Clinical Indication |
|---|---|---|
| Darunavir | -14.0304 | Antiviral |
| Mitoxantrone | -13.8100 | Anticancer |
| Nelfinavir | -13.4200 | Antiviral |
| Moexpril | -13.2442 | Anti-hypertensive |
| Daunorubicin | -12.5009 | Anticancer |
| Rosuvastatin | -12.3096 | Anti-hypercholesterolemia |
| Saquinavir | -12.0917 | Antiviral |
| Metamizole | -11.6652 | Anti-inflammatory |
| Bepotastine | -10.6350 | Anti-histaminic |
| Benzonatate | -10.4759 | Anti-tussive |
| Atovaquone | -8.1459 | Antimalarial |