Predicting drug absorption from molecular surface properties based on molecular dynamics simulations

Pharmaceutical Research

Volumn 15, Issue 7, 1998, Pages 972-978

  Krarup, Lene Hjorth ^a   Christensen, Inge Thøger ^a   Hovgaard, Lars ^a   Frokjaer, Sven ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Absorption; Caco 2 cells; Conformational analysis; Molecular dynamics; Polar surfacer area

Indexed keywords

ACEBUTOLOL; ALPRENOLOL; BETA ADRENERGIC RECEPTOR BLOCKING AGENT; BETAXOLOL; CYCLOPROPANECARBOXYLIC ACID DERIVATIVE; ESTER DERIVATIVE; OXPRENOLOL; PRODRUG; PROPRANOLOL; TIMOLOL;

ARTICLE; CALCULATION; CELL MEMBRANE PERMEABILITY; CELL STRAIN CACO 2; COMPUTER SIMULATION; DRUG ABSORPTION; HYDROGEN BOND; LIPOPHILICITY; MOLECULAR DYNAMICS; MOLECULAR SIZE; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY; THERMODYNAMICS;

ADRENERGIC BETA-ANTAGONISTS; CACO-2 CELLS; CELL MEMBRANE PERMEABILITY; CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; HEAT; HUMANS; INTESTINAL ABSORPTION; MODELS, CHEMICAL; MOLECULAR CONFORMATION; PRODRUGS; STRUCTURE-ACTIVITY RELATIONSHIP; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 0031872134     PISSN: 07248741     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1011905522110     Document Type: Article

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