Structure- and ligand-based structure-activity relationships for a series of inhibitors of aldolase

Current Computer-Aided Drug Design

Volumn 8, Issue 4, 2012, Pages 309-316

  Ferreira, Leonardo G ^a   Andricopulo, Adriano D ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

Aldolase; Human african trypanosomiasis; Molecular modeling; Qsar

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; STRUCTURES (BUILT OBJECTS);

ALDOLASES; HUMAN AFRICAN TRYPANOSOMIASIS; LEAVE ONE OUT; MOLECULAR TARGETS; NEGLECTED DISEASE; QSAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; STRUCTURE-ACTIVITY RELATIONSHIPS; TRYPANOSOMA BRUCEI; TWO-DIMENSIONAL;

MOLECULAR MODELING;

EFLORNITHINE; ENZYME INHIBITOR; FRUCTOSE BISPHOSPHATE ALDOLASE INHIBITOR; MELARSOPROL; PENTAMIDINE; SURAMIN; UNCLASSIFIED DRUG;

AFRICAN TRYPANOSOMIASIS; ARTICLE; CHIRALITY; COMPUTER SIMULATION; DISSOCIATION CONSTANT; DRUG BINDING; DRUG CONFORMATION; INTERNAL CONSISTENCY; MOLECULAR DOCKING; MOLECULAR MODEL; PARTIAL LEAST SQUARES REGRESSION; PREDICTIVE VALUE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RELIABILITY; X RAY CRYSTALLOGRAPHY;

EID: 84870165790     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/157340912803519589     Document Type: Article

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