Table 2 TMPRSS2-binding energy scores calculated by iGEMDOCK 2.1
From: Coffee as a dietary strategy to prevent SARS-CoV-2 infection
| Â | Total energy (kcal/mol) | VDW (kcal/mol) | H Bond (kcal/mol) | Elec (kcal/mol) |
|---|---|---|---|---|
isoCGA-B | −155.23 | −115.84 | −37.46 | −1.93 |
isoCGA-A | −154.02 | −109.91 | −42.09 | −2.02 |
isoCGA-C | −153.75 | −105.79 | −48.21 | 0.24 |
CGA | −127.06 | −84.61 | −42.53 | 0.08 |
Caffeine | −90.91 | −62.92 | −27.99 | 0.00 |