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

Figure 10

The energy contribution of important amino acid residues of five protein-ligand complexes. The significant residues of energy contribution (e.g., Val 523 and Leu 352 on PTGS2, Ile 75 on MAPK1, Trp 79 on LCN2, Leu 55 on TNF, and Phe 110 on MMP9). (a–e) The positive residues and negative residues (only residues which were out of the range: -1∼1 KJ/mol remained). Most of the residues within 4 Å play positive roles for lower energy saving Lys 45 & Glu 62 on MAPK1 and Arg 56 & Arg 106 on MMP9.

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