Influences of Active Components from Duhuo Jisheng Decoction on TNF-α and IL-1β Predicted by Molecular Docking Method

Objective To investigate the active components from Duhuo Jisheng decoction,which have effects on TNF-α and IL-1β receptors.Methods Molecular docking was served as a method to simulate the interactions of traditional Chinese medicine small molecules and TNF-α,IL-1β receptors respectively with ligand-fit module of the software package Discovery Studio 2.0 made by Accelrys company and to predict the active components from Duhuo Jisheng decoction which have effects on TNF-α and IL-1β receptors.Results TNF-α and IL-1β were served as targets,the threshold value of original ligand as a reference,and ten moleculars were predicted to be better interactions with TNF-α and one molecular were predicted to be better interactions with IL-1β.Conclusion Duhuo Jisheng decoction has significant effect on treating osteoarthritis,and its mechanism is probably related with the effect of decreasing the levels of TNF-α and IL-1β in synovial fluid.