Research Article
Docking Studies on Potential Mechanisms for Decreasing Insulin Resistance by the Tangzhiqing Herbal Formula
Table 4
Docking scores of selected natural products with PTP1B and AMPK.
| | No. | Compound | PTP1B | AMPK | | CDOCKER (kcal/mol) | Ligandfit (kcal/mol) | CDOCKER (kcal/mol) | Ligandfit (kcal/mol) |
| | 1 | 527/991Δ | 102.50 | 90.50 | 64.08 | 100.61 | | 2 | Nuciferine | 26.49 | — | 29.93 | — | | 3 | Rutin | 86.52 | 55.79 | 78.84 | 67.84 | | 4 | 1-Deoxynojirimycin | 17.57 | — | 24.24 | — | | 5 | Salvianolic acid A | 72.09 | 88.33 | 73.20 | 97.76 | | 6 | Salvianolic acid B | — | 64.01 | — | 57.57 | | 7 | Salvianolic acid C | 95.07 | 118.29 | 87.23 | 83.89 | | 8 | Danshensu | 49.37 | — | 44.70 | — | | 9 | Rosmarinic acid | 54.44 | 77.61 | 63.24 | 54.03 | | 10 | Tanshinone IIA | 25.66 | — | 30.88 | — | | 11 | Cryptotanshinone | 33.08 | — | 24.28 | — | | 12 | Dihydrotanshinone I | 22.27 | — | 36.90 | — | | 13 | Quercitrin | 83.52 | — | 81.89 | 55.11 | | 14 | Paeoniflorin | 44.46 | 74.43 | 42.59 | 71.05 |
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ΔInitial ligand; 527 for PTP1B (2QBP) and 991 for AMPK (4CFE).
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