Table 4.
Docking parameters in the high-affinity interactions of acacetin with seven targets.
| Target protein | Bond-forming residue | Hydrogen-bond length | Mean binding energy (mBE) |
|---|---|---|---|
| MEK1 | ILE-216 | 2.6 Å | −7.44 |
| SER-212 | 2.2 Å; 1.7 Å | ||
| MEK2 | SER-216 | 2.1 Å; 2.2 Å | −5.74 |
| ERK1 | MET-125 | 1.9 Å | −6.31 |
| ASP-123 | 2.2 Å | ||
| ERK2 | GLN-105 | 2.1 Å | −5.87 |
| GLU-71 | 2.1 Å | ||
| LYS-54 | 2.3 Å | ||
| TYR-36 | 2.0 Å | ||
| Bcl2 | ARG-146 | 1.8 Å | −5.11 |
| NF-κB | VAL-444 | 2.5 Å | −5.54 |
| TYR-601 | 2.8 Å | ||
| SER-357 | 2.2 Å | ||
| alCDase | PHE-140 | 2.2 Å | −5.57 |
| VAL-165 | 2.6 Å; 2.6 Å | ||
| GLY-164 | 2.5 Å; 1.7 Å | ||
| ARG-333 | 2.0 Å | ||
| Sulfuric acid (H2SO4) | 3.0 Å |