Table 2. Binding affinity of Syzygium aromaticum compounds with Mpro
|
Ligand |
Binding affinity (kcal/mol) |
|
α-ketoamide (+ control) |
-7.3 |
|
Oleanolic acid |
-7.7 |
|
Crategolic acid |
-7.6 |
|
Kaempferol |
-7.6 |
|
Biflorin |
-7.3 |
|
Ellagic acid |
-7.3 |
|
Rhamnetin |
-7.3 |
|
Myricetin |
-7.3 |
|
Quercetin |
-7.2 |
|
Stigmasterol |
-7.1 |
|
Campesterol |
-6.9 |
|
Eugenin |
-6.0 |
|
Eugenitin |
-6.0 |
|
Ferulic acid |
-5.7 |
|
Caffeic acid |
-5.6 |
|
Gallic acid |
-5.4 |
|
Vanillin |
-4.9 |
|
Salicylic acid |
-4.9 |
|
Carvacrol |
-4.8 |
|
Eugenol |
-4.7 |