The Molecular Mechanism of Traditional Chinese Medicine Prescription: Gu-tong Formula in Relieving Osteolytic Bone Destruction

Figure 4

Based on molecular docking and molecular dynamics, the binding stability of key compounds to IL6 and TGFB1 was verified. (a) Binding energy of key compounds. (b) Binding mode of IL6 and sesamin. (c) Binding mode of TGFB1 and deltoin. (d) The root mean square deviation (RMSD) versus time graph of the compounds in the IL6-sesamin and TGFB1-deltoin complexes relative to proteins over 10 ns.

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