Prediction on the binding domain between human interleukin-6 and its receptor

Based on the spatial conformations of human interleukin-6 (hIL-6) derived f rom nuclear magnetic resonance analysis and human interleukin-6 receptor (h IL-6R) modeled with homology modeling method using human growth hormone rec eptor as template, the interaction between hIL-6 and its receptor (hIL-6R) is studied with docking program according to the surface electrostatic pote ntial analysis and spatial conformation complement. The stable region struc ture composed of hIL-6 and hIL-6R is obtained on the basis of molecular mec hanism optimization and molecular dynamics simulation. The binding domain b etween hIL-6 and hIL-6R is predicted theoretically. Furthermore, the especi al binding sites that influence the interaction between hIL-6 and hIL-6R ar e confirmed. The results lay a theoretical foundation for confirming the ac tive regions of hIL-6 and designing novel antagonist with computer-guided t echniques.