Table 1 Computed affinity (pKi), cLogP, and ∆G (kcal/mol) for the proposed derivatives
|  | Compound | Affinity (pKi) | cLogP | ∆G kcal/mol |
|---|---|---|---|---|
1 | Phenyl | 11.38 | 6.8 | −30.54 |
2 | 4-Methyl phenyl | 11.51 | 7.49 | −40.65 |
3 | 4-Hydroxy phenyl | 10.37 | 6.2 | −43.40 |
4 | 4-Methoxy phenyl | 11.50 | 6.8 | −43.45 |
5 | 2,4,6-Trimethyl phenyl | 13.64 | 7.7 | −50.10 |
6 | 4-Chloro phenyl | 10.55 | 8.1 | −41.75 |
7 | 4-Bromo phenyl | 10.72 | 8.4 | −41.95 |
8 | 4-Fluoro phenyl | 10.24 | 7.1 | −42.15 |
9 | Curcumin | 8.66 | 3.85 | −30.85 |
10 | Curcumin derivative (E26C) | 10.40 | 7.9 | −51.65 |