GPCR Targeted Library Design: Novel Dopamine D 3  Receptor Ligands | Zendy

Böcker A. | Zendy; Sasse  B. C. | Zendy; Nietert M. | Zendy; Stark H. | Zendy; Schneider G. | Zendy

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GPCR Targeted Library Design: Novel Dopamine D 3 Receptor Ligands

Author(s) -

Böcker A.,

Sasse B. C.,

Nietert M.,

Stark H.,

Schneider G.

Publication year - 2007

Publication title -

chemmedchem

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.817

H-Index - 100

eISSN - 1860-7187

pISSN - 1860-7179

DOI - 10.1002/cmdc.200700067

Subject(s) - g protein coupled receptor , dopamine receptor d3 , receptor , chemistry , dopamine , dopamine receptor , computational biology , biology , pharmacology , neuroscience , biochemistry

GPCR‐focused compound libraries were designed by strategic iterative virtual screening. The most potent ligands yielded K i values of 65 n M at the dopamine D 3 receptor subtype. Two potential binding modes were observed for receptor antagonists in a homology‐based model of the dopamine D 3 receptor. Results demonstrate opportunities for a combination of different virtual screening methods in early stages of GPCR drug discovery for new lead finding.

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