Shenjinhuoxue Mixture Attenuates Inflammation, Pain, and Cartilage Degeneration by Inhibiting TLR-4 and NF-κB Activation in Rats with Osteoarthritis: A Synergistic Combination of Multitarget Active Phytochemicals

Figure 3

Interactions between the key active phytochemicals and the pivotal targets of TLR-4 and NF-κB. (a) Molecular models of the nine key active phytochemicals (molecule ligands) binding to the proteins of NF-κB and TLR-4. The key active phytochemicals are shown interacting with the 3D structures of proteins, represented by the yellow stick models. Green and blue lines represent residues in the binding sites. The red dashed lines demarcate hydrogen bonds, and the interaction distances are indicated next to the bonds. (b) Sodium acetate pH 5.0 was the optimal condition to dilution TLR-4 with the highest bond response of 3324.5 RU. (c) Affinity-sensing diagrams (on the top) and fitting curves (on the bottom) of a series of concentrations of LPS (positive reference standard), licochalcone A, and oleanolic acid compounds with TLR-4. NF-κB: nuclear factor kappa B; TLR-4: Toll-like receptor 4; LPS: lipopolysaccharide; KD: equilibrium dissociation constant; RU: response units.

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