The binding energy and docking score values for compounds A, B, and C.
Protein–drug complex system | Binding energy (kcal mol−1) | Docking score (kcal mol−1) | |
---|---|---|---|
HSA | A | −35.5 | −5.10 |
B | −41.82 | −8.97 | |
C | −53.78 | −8.17 | |
COX-2 | A | −38.63 | −8.81 |
B | −38.65 | −9.5 | |
C | −45.6 | −8.71 |