Three-dimensional quantitative structure-activity and structure-selectivity relationships of dihydrofolate reductase inhibitors

Journal of Computer-Aided Molecular Design

Volumn 18, Issue 5, 2004, Pages 309-331

  Sutherland, Jeffrey J ^a   Weaver, Donald F ^b  

^a QUEEN S UNIVERSITY   (Canada)

^b DALHOUSIE UNIVERSITY   (Canada)

Author keywords

3D QSAR; CoMSIA; Dihydrofolate reductase inhibitors; Pneumocystis carinii; Rat liver; SIMCA

Indexed keywords

CLASSIFICATION (OF INFORMATION); COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; RATS; STATISTICS; TESTING;

3D-QSAR; COMPARATIVE-MOLECULAR-SIMILARITY-INDICES ANALYSIS; DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE INHIBITOR; INDEPENDENT MODEL; PNEUMOCYSTI CARINII; RAT LIVERS; REDUCTASE INHIBITORS; SOFT INDEPENDENT MODELING BY CLASS ANALOGY; TEST SETS;

ELECTROSTATICS;

DIHYDROFOLATE REDUCTASE INHIBITOR; METHOTREXATE; PIRITREXIM; TRIMETREXATE; DIHYDROFOLATE REDUCTASE; FOLIC ACID ANTAGONIST;

ANIMAL TISSUE; ARTICLE; CONTROLLED STUDY; NONHUMAN; PNEUMOCYSTIS CARINII; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; STEREOSPECIFICITY; VALIDATION PROCESS; X RAY CRYSTALLOGRAPHY; ANIMAL; CHEMICAL STRUCTURE; CHEMISTRY; LIVER; METABOLISM; STRUCTURE ACTIVITY RELATION;

ANIMALS; CRYSTALLOGRAPHY, X-RAY; FOLIC ACID ANTAGONISTS; LIVER; MODELS, MOLECULAR; PNEUMOCYSTIS CARINII; RATS; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 16644388220     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1023/B:JCAM.0000047814.85293.da     Document Type: Article

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