Table A1.
Docking analysis results for compounds 3‒14 and rosiglitazone (Rosi).
| Compounds | AT a | AA b | NP c | AI d |
|---|---|---|---|---|
| 3 | −7.5 | −6.756 | 4 | 3.50 |
| 4 | −7.4 | −6.733 | 4 | 2.35 |
| 5 | −7.2 | −6.944 | 0 | 0.00 |
| 6 | −8.3 | −7.311 | 3 | 2.33 |
| 7 | −8.4 | −7.356 | 4 | 1.75 |
| 8 | −7.6 | −6.944 | 4 | 0.75 |
| 9 | −7.8 | −7.467 | 4 | 1.00 |
| 10 | −6.9 | −6.656 | 3 | 0.67 |
| 11 | −8.6 | −7.189 | 4 | 1.00 |
| 12 | −9.3 | −8.378 | 4 | 1.11 |
| 13 | −8.9 | −8.400 | 4 | 1.67 |
| 14 | −9.4 | −8.133 | 3 | 1.67 |
| Rosi | −8.2 | −7.033 | 4 | 1.50 |
a AT, affinity of the top-ranked mode; b AA, average affinity of the nine generated modes; c NP, the number of modes located in the binding pocket; d AI, the average number of H-bond interactions with key amino acid residues).