Binding mode prediction of conformationally restricted anandamide analogs within the CB1 receptor.

ABSTRACT:

Background

CB1 cannabinoid receptors are G-protein coupled receptors for endocannabinoids including anandamide and 2-arachidonoylglycerol. Because these arachidonic acid metabolites possess a 20-carbon polyene chain as the alkyl terminal moiety, they are highly flexible with the potential to adopt multiple biologically relevant conformations, particularly those in a bent form. To better understand the molecular interactions associated with binding and steric trigger mechanisms of receptor activation, a series of conformationally-restricted anandamide analogs having a wide range of affinity and efficacy were evaluated.

Results

A CB1 receptor model was constructed to include the extracellular loops, particularly extracellular loop 2 which possesses an internal disulfide linkag

SUBMITTER: Padgett LW 

PROVIDER: S-EPMC2289822 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature