Ligand recognition in μ opioid receptor: experimentally based modeling of μ opioid receptor binding sites and their testing by ligand docking

摘要: Abstract For three-dimensional understanding of the mechanisms that control potency and selectivity ligand binding at atomic level, we have analysed opioid receptor-ligand interaction based on receptor's 3D model. As a first step, constructed molecular models for multiple receptor subtypes using bacteriorhodopsin as template. The S -activated dihydromorphine derivatives should serve powerful tools in mapping structure μ receptor, including nature agonist-mediated conformational change permits G protein-coupling to ‘second messenger’ effector molecules, identifying specific ligand-binding contacts with receptor. analyses interactions some ligands predicted sites are consistent results affinity labeling experiments.