Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening.

Laggner, Christian; Schieferer, Claudia; Fiechtner, Birgit; Poles, Gloria; Hoffmann, Rémy D; Glossmann, Hartmut; Langer, Thierry; Moebius, Fabian F

Laggner, Christian; Schieferer, Claudia; Fiechtner, Birgit; Poles, Gloria; Hoffmann, Rémy D; Glossmann, Hartmut; Langer, Thierry; Moebius, Fabian F.

Affiliation

Laggner C; Institute of Pharmacy, Department of Pharmaceutical Chemistry, and Center for Molecular Biosciences (CMBI), University of Innsbruck, Innrain 52, A-6020 Innsbruck, Austria.

J Med Chem ; 48(15): 4754-64, 2005 Jul 28.

Article in En | MEDLINE | ID: mdl-16033255

Subject(s)

Carrier Proteins/chemistry; Receptors, sigma/chemistry; Steroid Isomerases/chemistry; Animals; Carrier Proteins/antagonists & inhibitors; Carrier Proteins/metabolism; Databases, Factual; Guinea Pigs; Humans; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Isomerism; Ligands; Models, Molecular; Quantitative Structure-Activity Relationship; Radioligand Assay; Receptors, sigma/antagonists & inhibitors; Receptors, sigma/metabolism; Saccharomyces cerevisiae/genetics; Saccharomyces cerevisiae/metabolism; Steroid Isomerases/antagonists & inhibitors; Steroid Isomerases/metabolism; Sigma-1 Receptor

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Collection: 01-internacional Database: MEDLINE Main subject: Steroid Isomerases / Carrier Proteins / Receptors, sigma Type of study: Diagnostic_studies / Screening_studies Limits: Animals / Humans Language: En Journal: J Med Chem Journal subject: QUIMICA Year: 2005 Document type: Article Affiliation country: Austria Country of publication: United States

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