Comparison of ligand-based and structure-based 3D-QSAR approaches: A case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase

Journal of Medicinal Chemistry

Volumn 48, Issue 11, 2005, Pages 3756-3767

  Sciabola, Simone ^a   Carosati, Emanuele ^a   Baroni, Massimo ^b   Mannhold, Raimund ^c  

^a UNIVERSITY OF PERUGIA   (Italy)

^b Molecular Discovery Ltd   (United Kingdom)

^c HEINRICH HEINE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

2 AMINOBENZONITRILE DERIVATIVE; BENZONITRILE; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING SITE; CALCULATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; ENZYME INHIBITION; INTERMETHOD COMPARISON; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULAR MODEL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICS; THREE DIMENSIONAL IMAGING; X RAY ANALYSIS;

BINDING SITES; HIV-1 REVERSE TRANSCRIPTASE; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NITRILES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS;

EID: 20144385405     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049162m     Document Type: Article

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