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Gene & Protein in Disease                                  A prediction on how Epimedii herba treat periodontitis




            A                                  B                                 C













                   D
                                                                 E
















            Figure 8. Results of molecular dynamics simulations. Panels (A) to (E) represent the root mean square deviation (RMSD), root mean square fluctuation
            (RMSF), radius of gyration (Rg), number of H-bonds, and SASA results of the molecular dynamics simulations, respectively

            A                                                   B
























            Figure 9. MMPBSA calculations. (A) From left to right, the bars represent van der Waals force, electrostatic energy, polar solvation energy, and non-polar
            solvation energy, respectively, and the TOTAL represents the average binding free energies. (B) Energy contribution of different amino acid residues; the
            last bar represents the ligand’s energy, which is also the sum of energies

            5. Conclusion                                      anhydroicaritin, chryseriol, DFV, kaempferol, luteolin,
                                                               quercetin, and Yinyanghuo C were involved in the
            The prevention and treatment of periodontitis by EH is a   treatment process through pathways related to cancer,
            complex process involving multiple components, targets,   lipid, and atherosclerosis; AGE–RAGE signaling pathway
            pathways, and links. The ingredients 8-(3-Methylbut-2-  in diabetic complications; and other key signaling pathways
            enyl)-2-phenyl-chromone,  8-isopentenyl-kaempferol,  regulating  the  expression  of the core  targets  of  AKT1,


            Volume 3 Issue 4 (2024)                         11                              doi: 10.36922/gpd.4427
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