Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors

European Journal of Medicinal Chemistry

Volumn 77, Issue , 2014, Pages 38-46

  Vass, Márton ^a   Schmidt, Éva ^a   Horti, Ferenc ^a   Keseru, György M ^b  

^a GEDEON RICHTER LTD   (Hungary)

^b INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

Dopamine D3 receptor; Ensemble docking; Fragment docking; Fragment screening; G protein coupled receptors; Histamine H4 receptor; Virtual screening

Indexed keywords

1 (5 CHLORO 2 INDOLYLCARBONYL) 4 METHYLPIPERAZINE; DOPAMINE 3 RECEPTOR; ETICLOPRIDE; G PROTEIN COUPLED RECEPTOR; HISTAMINE H1 RECEPTOR; HISTAMINE H4 RECEPTOR; HISTAMINE RECEPTOR; HRH4 PROTEIN, HUMAN;

ARTICLE; BINDING ASSAY; CELL CULTURE; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG CONFORMATION; DRUG SCREENING; HUMAN; HUMAN CELL; LIPOPHILICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; RECEPTOR BINDING; VIRTUAL FRAGMENT SCREENING; ANIMAL; CHEMICAL STRUCTURE; CHEMISTRY; CHO CELL LINE; CRICETULUS; HIGH THROUGHPUT SCREENING; PROTEIN CONFORMATION; X RAY CRYSTALLOGRAPHY;

ANIMALS; CELLS, CULTURED; CHO CELLS; CRICETULUS; CRYSTALLOGRAPHY, X-RAY; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; MODELS, MOLECULAR; PROTEIN CONFORMATION; RECEPTORS, DOPAMINE D3; RECEPTORS, G-PROTEIN-COUPLED; RECEPTORS, HISTAMINE;

EID: 84895811180     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2014.02.034     Document Type: Article

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