Structural determinants of the alpha2 adrenoceptor subtype selectivity.

ABSTRACT: Alpha2-adrenergic receptor (α2-AR) subtypes, acting mainly on the central nervous and cardiovascular systems, represent important targets for drug design, confirmed by the high number of studies published so far. Presently, only a few α2-AR subtype selective compounds are known. Using homology modeling and ligand docking, the present study analyzes the similarities and differences between binding sites, and between extracellular loops of the three subtypes of α2-ARs. Several α2-AR subtype selective ligands were docked into the active sites of the three α2-AR subtypes, key interactions between ligands and receptors were mapped, and the predicted results were compared with the available experimental data. Binding site analysis reveals a strong identity between important amino acid residues i

SUBMITTER: Ostopovici-Halip L 

PROVIDER: S-EPMC3307019 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature