Table 1. In Vitro Inhibition Values Exhibited by the Diverse Compounds Purchased Rank-Ordered by their Computed Binding Energiesa.
| compound | Ki (μM) | IC50 (μM) | ΔGbinding (GB) (kcal/mol) |
|---|---|---|---|
| (−) epigallocatechin gallate | 7.8 | 22 | –54.6 |
| proanthocyanidins | * | * | –52.9 |
| narirutin | * | * | –48.9 |
| amentoflavone | 10 | 28 | –48.5 |
| ziyu-glycoside I | * | * | –48.1 |
| luteoloside | * | * | –43.6 |
| vitexin-2-O-rhamnoside | 23 | 65 | –40.9 |
| linarin | * | * | –39.6 |
| aloin | 34 | 96 | –38.9 |
| rhoifolin | 82 | 230 | –36.9 |
| corilagin | * | * | –33.4 |
a
Compounds with no detectable inhibitory activity at concentrations below 125 μM are marked with an asterisk.