3D-QSAR study of bis-azaaromatic quaternary ammonium analogs at the blood-brain barrier choline transporter

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 13, 2005, Pages 4253-4261

  Geldenhuys, Werner J ^a   Lockman, Paul R ^a   Nguyen, Tiffany H ^a   Van Der Schyf, Cornelis J ^a,b   Crooks, Peter A ^c   Dwoskin, Linda P ^c   Allen, David D ^a  

^a TEXAS TECH UNIVERSITY HEALTH SCIENCES CENTER   (United States)

^b NORTH WEST UNIVERSITY   (South Africa)

^c University of Kentucky   (United States)

Author keywords

Blood brain barrier; Brain drug delivery; Choline; Molecular modeling; Transport

Indexed keywords

CHOLINE; HEMICHOLINIUM 15; HEMICHOLINIUM 3; QUATERNARY AMMONIUM DERIVATIVE; TRITIUM; UNCLASSIFIED DRUG;

ANIMAL EXPERIMENT; ANIMAL TISSUE; ARTICLE; BINDING AFFINITY; BINDING SITE; BLOOD BRAIN BARRIER; BRAIN PERFUSION; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; CONTROLLED STUDY; DRUG UPTAKE; HYDROPHOBICITY; MALE; MOLECULAR RECOGNITION; NONHUMAN; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT;

ANIMALS; AZA COMPOUNDS; BINDING SITES; BIOLOGICAL TRANSPORT; BLOOD-BRAIN BARRIER; BRAIN; CHOLINE; HEMICHOLINIUM 3; LIGANDS; MALE; MEMBRANE TRANSPORT PROTEINS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUATERNARY AMMONIUM COMPOUNDS; RATS; RATS, INBRED F344;

EID: 20344387212     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.04.020     Document Type: Article

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