Ontology highlight
ABSTRACT:
SUBMITTER: Ivanov AA
PROVIDER: S-EPMC1821074 | biostudies-literature | 2007 Feb
REPOSITORIES: biostudies-literature
Ivanov Andrei A AA Fricks Ingrid I Kendall Harden T T Jacobson Kenneth A KA
Bioorganic & medicinal chemistry letters 20061028 3
A rhodopsin-based homology model of the P2Y14 receptor was inserted into a phospholipid bilayer and refined by molecular dynamics (MD) simulation. The binding modes of several known agonists, namely UDP-glucose and its analogues, were proposed using automatic molecular docking combined with Monte Carlo Multiple Minimum calculations. Compared to other P2Y receptors, the P2Y14 receptor has an atypical binding mode of the nucleobase, ribose, and phosphate moieties. The diphosphate moiety interacts ...[more]