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Prospective structure based virtual fragment screening methodologies on two GPCR targets namely the dopamine D3 and the histamine H4 receptors with a library of 12,905 fragments were evaluated. Fragments were docked to the X-ray structure and the homology model of the D3 and H4 receptors, respectively. Representative receptor conformations for ensemble docking were obtained from molecular dynamics...
In vitro binding characteristics of the dopamine D3/D2 antagonist [3H]raclopride were compared to the D3/D2 agonist [3H](+)‐PHNO in membrane preparations from rat striatum, cerebellum Lobules 9 and 10 (CB L9,10), and other cerebellar regions. In striatum, both radioligands labeled a single binding site. [3H](+)‐PHNO showed higher affinity, though lower Bmax, compared with [3H]raclopride and was sensitive...
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