Table 3 Docking scores (pKd/pKi) and relevant results of core targets and active principles of THH
No. | Entries | MMP9 | STAT3 | Â | TP53 | Â | Â | VEGEF | |||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Docking scores | Num. H-bonds | Num. hydrophobic interactions | Docking scores | Num. H-bonds | Num. hydrophobic interactions | Docking scores | Num. H-bonds | Num. hydrophobic interactions | Docking scores | Num. H-bonds | Num. hydrophobic interactions | ||
I. | Celastrol | 6.238 | 1 | 1 | 6.514 | 0 | 1 | 5.634 | 3 | 6 | 6.142 | 0 | 5 |
II. | Hypodiolide A | 4.803 | 0 | 0 | 4.583 | 1 | 1 | 5.741 | 2 | 6 | 5.228 | 2 | 2 |
III. | L-Epigallocatechin | 6.270 | 0 | 0 | 6.891 | 0 | 2 | 5.329 | 1 | 6 | 5.040 | 1 | 1 |
VI. | Tripdiolide | 5.398 | 1 | 0 | 5.072 | 0 | 2 | 5.746 | 2 | 6 | 5.466 | 2 | 2 |
V. | Triptolide | 5.346 | 0 | 0 | 4.981 | 1 | 1 | 5.985 | 1 | 6 | 5.693 | 1 | 2 |
VI. | Triptonide | 5.358 | 0 | 0 | 4.87 | 0 | 3 | 5.965 | 2 | 7 | 5.691 | 1 | 2 |
VII. | Triptonoterpenol | 6.545 | 0 | 0 | 6.567 | 0 | 1 | 5.743 | 0 | 8 | 6.152 | 1 | 2 |
VII. | Triptophenolide | 7.852 | 0 | 0 | 7.869 | 0 | 2 | 6.152 | 0 | 8 | 4.806 | 0 | 2 |