Research Article
The Underlying Molecular Mechanisms Involved in Traditional Chinese Medicine Smilax china L. for the Treatment of Pelvic Inflammatory Disease
Table 4
Molecular mechanics-Poisson Boltzmann surface area (MM-PBSA) binding free energy results for five complexes (kJ mol−1).
| | PTGS2 | MAPK1 | LCN2 | TNF | MMP9 |
| ∆Evdw | −216.440 ± 3.246 | −162.988 ± 1.077 | −254.221 ± 3.069 | −224.329 ± 1.717 | −164.405 ± 5.045 | ∆Eele | −34.967 ± 1.184 | −59.667 ± 0.842 | −56.01 ± 3.385 | −40.788 ± 1.380 | −50.800 ± 1.845 | ∆Epol | 122.151 ± 3.055 | 134.190 ± 1.299 | 178.273 ± 4.009 | 180.285 ± 2.108 | 92.767 ± 3.313 | ∆Esasa | −17.279 ± 0.243 | −14.699 ± 0.075 | −23.279 ± 0.144 | −22.452 ± 0.171 | −13.464 ± 0.391 | ∆Bind | −146.535 ± 1.934 | −103.164 ± 1.533 | −155.246 ± 4.579 | −107.284 ± 1.485 | −135.904 ± 4.201 |
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