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Table 3 Docking scores (pKd/pKi) and relevant results of core targets and active principles of THH

From: Network pharmacology modeling identifies synergistic interaction of therapeutic and toxicological mechanisms for Tripterygium hypoglaucum Hutch

No. Entries MMP9 STAT3   TP53    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
  1. Note: The bold values were associated with the top three docking scores