Table 3 Statistical analysis of MM/GBSA results.
From: Salidroside ameliorates diabetic amyotrophy by targeting Caspase-3 to inhibit apoptosis
Energy | Caspase3 | NQO1 | REN | HDAC6 | ACE | HSP90AA1 | MAPK3 | PPARγ | BCL2 | SRC | TNF | APP | HDAC1 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Salidroside | |||||||||||||
Coulomb | − 42.98 | − 39.37 | − 31.12 | − 30.66 | − 49.91 | − 25.83 | − 30.53 | − 12.47 | − 32.61 | − 38.30 | − 18.50 | − 33.35 | − 37.85 |
Covalent | 5.35 | 8.45 | 2.47 | 3.45 | 7.20 | 3.18 | 8.03 | 5.46 | 4.76 | 4.35 | 4.80 | 7.50 | 3.39 |
Hbond | − 7.01 | − 4.88 | − 3.69 | − 1.76 | − 5.73 | − 4.91 | − 3.37 | − 1.25 | − 4.44 | − 3.86 | − 3.13 | − 3.76 | − 2.36 |
Lipo | − 13.20 | − 14.00 | − 18.24 | − 22.42 | − 16.25 | − 15.43 | − 17.80 | − 19.83 | − 14.44 | − 14.92 | − 13.18 | − 8.82 | − 13.19 |
Packing | − 0.23 | − 0.05 | − 3.03 | − 3.57 | − 0.45 | − 1.12 | 0.00 | 0.00 | − 0.87 | − 0.00 | − 0.77 | − 0.00 | − 2.01 |
Solv GB | 28.15 | 29.17 | 51.05 | 79.77 | 120.02 | 30.76 | 43.03 | 23.53 | 25.51 | 41.31 | 9.13 | 51.98 | 27.11 |
vdW | − 17.42 | − 30.66 | − 27.02 | − 25.73 | − 26.80 | − 31.90 | − 21.77 | − 40.56 | − 19.41 | − 23.74 | − 23.97 | − 21.01 | − 22.91 |
Total | − 47.34 | − 51.33 | − 29.59 | − 0.92 | 28.08 | − 45.25 | − 22.41 | − 45.12 | − 41.50 | − 35.17 | − 45.62 | − 7.46 | − 47.81 |
