Docking scores (kcal mol−1) for annotated compounds with different SARS-CoV-2 targets.
Compound | Docking scores (kcal mol−1) | |||||
---|---|---|---|---|---|---|
Mpro | RdRp | O-ME transferase | ACE-2 | RBD-S-protein | PLpro | |
Clitorin | −7.8 | −8.1 | −8.3 | −5.4 | −6.8 | −6.8 |
Rutin | −8.3 | −8.4 | −8.7 | −5.6 | −6.6 | −7 |
Nicotiflorin | −9.3 | −8.2 | −9.3 | −5.9 | −7.4 | −6.9 |
Manghaslin | −8.8 | −8.2 | −8.7 | −5.7 | −7 | −6.8 |
Kaempferol | −7.9 | −7.5 | −8 | −7 | −6 | −6.8 |
2β,3β-Dihydroxy-ursolic acid | −7.2 | −8.6 | −8.1 | −6 | −6.8 | −7 |
Acacic acid | −7.2 | −7.2 | −8 | −5.8 | −6.6 | −6.9 |
Oleanolic acid | −7.3 | −7.5 | −8 | −5.8 | −6.5 | −6.8 |
Betulinic acid | −7.1 | −7.4 | −7.8 | −6 | −6.6 | −7.2 |
β-Sitosterol | −7.2 | −6.3 | −7.6 | −5.2 | −6.1 | −6.8 |
Carpaine | −7.8 | −8.4 | −8.5 | −6.3 | −7 | −7.4 |
Pseudocarpaine | −7.7 | −8 | −8.2 | −6.1 | −7.4 | −7.8 |
Stigmasterol | −7.2 | −6.3 | −7.7 | −5.8 | −7 | −6.7 |
Co-crystallization ligand | −7.7 | −6.8 | −8.2 | — | — | −6.8 |