The Underlying Molecular Mechanisms Involved in Traditional Chinese Medicine Smilax china L. for the Treatment of Pelvic Inflammatory Disease

Figure 9

The 45 ns molecular dynamics simulation and calculated root mean square deviations (RMSD) of the backbone atoms and ligands referenced to the topology documents of five complexes. (a, b): PTGS2-isorhamnetin; (c, d): MAPK1-moracin M; (e, f): LCN2-rutin; (g, h): TNF-rutin; (i, j): MMP9-oxyresveratrol. (a, c, e, g, i) Simulation system for the protein-ligand model complex, with water in cyan box, protein in new cartoon of secondary structure, and ligand in VDW representation. (b, d, f, h, j) RMSD fluctuation for proteins and ligands.

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