Table 3 Binding affinity of identified metabolites to ACE2, TMPSS2, and S protein
From: Estimating the viral loads of SARS-CoV-2 in the oral cavity when complicated with periapical lesions
Metabolites | Binding affinity (Kcal/mol) | ||
|---|---|---|---|
ACE2 | TMPRSS2 | S protein | |
Palmitic acid | − 5.7 | − 4.5 | − 5.5 |
Stearic acid | − 5.6 | − 4.9 | − 5.1 |
Myristic acid | − 5.6 | − 4.2 | − 5.2 |
Oleic acid | − 5.6 | − 5.0 | − 4.9 |
17-Octadecynoic acid | − 5.6 | − 5.3 | − 5.6 |
Petroselinic acid | − 6.0 | − 5.1 | − 5.4 |
Octanoic acid | − 4.8 | − 4.5 | − 4.6 |
1-Nonadecene | − 4.9 | − 4.3 | − 4.8 |
l-(+)-lactic acid | − 4.0 | − 4.1 | − 4.1 |
Enalaprilat | − 8.8 | – | – |
Benzamidine | – | − 5.6 | – |
Camostat | – | − 7.7 | – |
Linoleic acid | – | – | − 5.6 |