Table 1.
Binding energy and Ki values between cinnamic acid derivatives and two MMP-9 inhibitors after docking with MMP-9
| Ligand ID | Ligand name | Binding energy (kcal/mol) | Ki |
|---|---|---|---|
| 6124212 | Cynarin | –14.68 | 17.37 pM |
| 1794427 | Chlorogenic acid | –12.62 | 557.56 pM |
| 5281792 | Rosmarinic acid | –11.85 | 2.06 nM |
| 5281787 | Caffeic acid phenethyl ester | –8.61 | 486.30 nM |
| 5281759 | Caffeic acid 3-glucoside | –8.14 | 1.09 μM |
| 5372945 | N-p-Coumaroyltyramine | –8.06 | 1.24 μM |
| 689043 | Caffeic acid | –6.92 | 8.42 μM |
| 444539 | Cinnamic acid | –6.90 | 8.76 μM |
| 637775 | Sinapinic acid | –6.68 | 12.66 μM |
| 637540 | o-Coumaric acid | –6.44 | 18.96 μM |
| 445858 | Ferulic acid | –6.33 | 22.88 μM |
| 637542 | p-Coumaric acid | –5.72 | 64.31 μM |
| 21310926 | MMP-9 Inhibitor I (Ctrl) | –8.18 | 1.02 μM |
| 137349476 | H27 (Ctrl) | –7.79 | 1.94 μM |
Ki, inhibition constant; MMP-9, matrix metalloproteinase-9.