Retioid X receptors (RXRs) play a critical role in the regulation of many biological activities and their specific agonists, including oxime ligands, functionally activate both homodimer RXR: RXR and heterodimer RXR:PPAR, the later relates to insulin sensitization and has a potential application in the treatment of type Ⅱdiabeter. Based on RXR and 9-cis-RA complex crystallographic data, interaction between these compounds and RXR are simulated with DOCK 4.0. After minimizing each ligand -receptor complex, from resulting energy and activity an equations is deduced with the correlation coefficient R^2=0.64. Two CoMFA models are built and compared. One model originates from the ligand conformation extracted directly from complex, the other from energy -minimized ligands. The higher significance of the former than that of the later suggests that the conformation from induced fit of receptor be more reliable.

Key words: INTERACTIONS, QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP