Table 2.
Docking scores and their corresponding ranks as judged by Hyde affinity assessment.
Compound | Docking score | Rank | ΔG (KJ/mol) |
---|---|---|---|
1a | −15.96 | 7 | −6 |
2a | −19.87 | 1 | −2 |
3a | −15.04 | 9 | −5 |
4a | −16.64 | 9 | −1 |
5a | −17.06 | 6 | −15 |
1b | −20.37 | 7 | −8 |
2b | −20.37 | 7 | −8 |
3b | −20.66 | 6 | −7 |
4b | −18.18 | 7 | −11 |
5b | −15.55 | 8 | −5 |