Theoretical calculation and prediction of P-glycoprotein-interacting drugs using MolSurf parametrization and PLS statistics

European Journal of Pharmaceutical Sciences

Volumn 10, Issue 4, 2000, Pages 295-303

  Österberg, Thomas ^a   Norinder, Ulf ^a  

^a ASTRAZENECA R AND D   (Sweden)

Author keywords

MolSurf; Multidrug resistance; P Glycoprotein; PLS; Quantum mechanics

Indexed keywords

ADENOSINE TRIPHOSPHATASE; AMIODARONE; AMITRIPTYLINE; CHLORPROMAZINE; DAUNORUBICIN; DILTIAZEM; DIPYRIDAMOLE; EPIRUBICIN; FLUPHENAZINE; GLYCOPROTEIN P; MEFLOQUINE; PIMOZIDE; PROGESTERONE; PROMETHAZINE; PROPAFENONE; PROPRANOLOL; QUINIDINE; RESERPINE; SPIRONOLACTONE; TAMOXIFEN; TERFENADINE; TRIFLUOPERAZINE; TRIFLUPROMAZINE; VERAPAMIL;

ARTICLE; CALCULATION; DRUG ACTIVITY; DRUG STRUCTURE; ENZYME ACTIVITY; HYDROGEN BOND; LIPOPHILICITY; NONHUMAN; PRIORITY JOURNAL; PROTEIN INTERACTION; QUANTUM MECHANICS; STRUCTURE ACTIVITY RELATION;

ADENOSINE TRIPHOSPHATASES; DRUG RESISTANCE, MULTIPLE; LEAST-SQUARES ANALYSIS; MODELS, CHEMICAL; P-GLYCOPROTEIN; PHARMACEUTICAL PREPARATIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0034077338     PISSN: 09280987     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0928-0987(00)00077-4     Document Type: Article

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