Residue-Ligand interaction energy (ReLIE) on a receptor-dependent 3d-QSAR analysis of s- and NH-DABOs as non-nucleoside reverse transcriptase inhibitors

Molecules

Volumn 17, Issue 7, 2012, Pages 7666-7694

  Brito, Monique Araújo De ^a,b   Rodrigues, Carlos Rangel ^b   Cirino, José Jair Viana ^b   Araújo, Jocley Queiroz ^b   Honório, Thiago ^b   Cabral, Lúcio Mendes ^b   Alencastro, Ricardo Bicca De ^b   Castro, Helena Carla ^a   Albuquerque, Magaly Girão ^b  

^a FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

AIDS HIV 1; DABO derivatives; Molecular dynamics; Receptor dependent 3D QSAR; Residue ligand interaction energy; Reverse transcriptase

Indexed keywords

AMINO ACID; CELL SURFACE RECEPTOR; LIGAND; NUCLEOSIDE; PYRIMIDINE DERIVATIVE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DATA BASE; DRUG EFFECT; HUMAN IMMUNODEFICIENCY VIRUS 1; IC 50; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

AMINO ACIDS; DATABASES AS TOPIC; HIV-1; INHIBITORY CONCENTRATION 50; LIGANDS; MODELS, MOLECULAR; NUCLEOSIDES; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, CELL SURFACE; REVERSE TRANSCRIPTASE INHIBITORS; RNA-DIRECTED DNA POLYMERASE; THERMODYNAMICS;

EID: 84864612129     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules17077666     Document Type: Article

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