| Abstract
| - Combining molecular dynamics (MD) in a hydratedphospholipid (DOPC) bilayer, a Monte Carlo search, andsynthesis of locked nucleotide analogues, we discovered thatthe Southern conformation of the ribose is preferred for ligandrecognition by the P2Y6 receptor. 2‘-Deoxy-(S)-methanocarbaUDP was found to be a full agonist of the receptor anddisplayed a 10-fold higher potency than that for the corresponding flexible 2‘-deoxyUDP. MD results also suggested aconformational change of the second extracellular loop consequent to agonist binding.
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