Structural contributions of substrates to their binding to P-glycoprotein. A TOPSMODE approach

Current Pharmaceutical Design

Volumn 16, Issue 24, 2010, Pages 2676-2709

  Estrada, Ernesto ^a   Molina, Enrique ^b   Nodarse, Delvin ^b   Uriarte, Eugenio ^c  

^a UNIVERSITY OF STRATHCLYDE   (United Kingdom)

^b UNIVERSIDAD DE CAMAGÜEY   (Cuba)

^c UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

Author keywords

Graph theory descriptors; Knowledge generation; Molecular modeling; P glycoprotein; QSAR; Spectral Moments; TOPS MODE

Indexed keywords

AMIODARONE; AMITRIPTYLINE; AMPRENAVIR; ASTEMIZOLE; ATORVASTATIN; BEPRIDIL; CAPTOPRIL; CHLORPROMAZINE; CLARITHROMYCIN; CLOZAPINE; CYCLOSPORIN; DESIPRAMINE; DEXAMETHASONE; DIAZEPAM; DONEPEZIL; ERYTHROMYCIN; FENTANYL CITRATE; FEXOFENADINE; FLUPHENAZINE; GALANTAMINE; GLYCOPROTEIN P; GLYCOPROTEIN P INHIBITOR; HALOPERIDOL; IBUPROFEN; IMIPRAMINE; MEQUITAZINE; PROCYCLIDINE; PROMAZINE; TRIFLUPROMAZINE; UNINDEXED DRUG;

ARTICLE; CASE REPORT; DISCRIMINANT ANALYSIS; HUMAN; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN FUNCTION; PROTEIN INTERACTION; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL;

ANIMALS; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; MICE; MODELS, BIOLOGICAL; MOLECULAR STRUCTURE; P-GLYCOPROTEIN; PROTEIN BINDING; PROTEIN TRANSPORT; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 77957964586     PISSN: 13816128     EISSN: None     Source Type: Journal    
DOI: 10.2174/138161210792389243     Document Type: Article

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