Predicting blood-brain barrier partitioning of organic molecules using membrane-interaction QSAR analysis

Pharmaceutical Research

Volumn 19, Issue 11, 2002, Pages 1611-1621

  Iyer, Manisha ^a   Mishra, Rama ^a   Han, Yi ^a   Hopfinger, A J ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

Blood brain barrier partitioning; Conformational flexibility; QSAR; Solute membrane binding

Indexed keywords

1 CHLORO 2,2,2 TRIFLUOROETHANE; 1,1,1 TRICHLOROETHANE; 2 BUTANONE; 2 PROPANOL; 2,2 DIMETHYLBUTANE; 3 METHYLHEXANE; 3 METHYLPENTANE; ACETONE; ALCOHOL; BENZENE; CENTRAL NERVOUS SYSTEM AGENTS; DIMYRISTOYLPHOSPHATIDYLCHOLINE; ENFLURANE; ETHER; FLUROXENE; HALOTHANE; HEPTANE; ISOBUTANOL; ISOFLURANE; ISOHEXANE; METHANE; METHYLCYCLOPENTANE; OCTANOL; ORGANIC COMPOUND; PENTANE; PHOSPHOLIPID; PROPANOL; TEFLURANE; UNCLASSIFIED DRUG; UNINDEXED DRUG; WATER;

ARTICLE; BLOOD BRAIN BARRIER; CELL MEMBRANE; DRUG CONFORMATION; GENETIC ALGORITHM; LINEAR REGRESSION ANALYSIS; MEMBRANE BINDING; MEMBRANE MODEL; MOLECULAR DYNAMICS; PARTITION COEFFICIENT; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUTE; VALIDATION PROCESS;

BLOOD-BRAIN BARRIER; CELL MEMBRANE; FORECASTING; MEMBRANES, ARTIFICIAL; MODELS, BIOLOGICAL; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0036844787     PISSN: 07248741     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020792909928     Document Type: Article

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