3D-QSAR CoMFA of a series of DABO derivatives as HIV-1 reverse transcriptase non-nucleoside inhibitors

Journal of Chemical Information and Modeling

Volumn 48, Issue 8, 2008, Pages 1706-1715

  De Brito, Monique Araújo ^a   Rodrigues, Carlos Rangel ^a   Cirino, José Jair Vianna ^a,b   De Alencastro, Ricardo Bicca ^a   Castro, Helena Carla ^c   Albuquerque, Magaly Girão ^a  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b PETROBRAS   (Brazil)

^c FLUMINENSE FEDERAL UNIVERSITY   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULES; DESIGN FOR TESTABILITY; ELECTROSTATICS;

C-2 POSITIONS; COMPARATIVE MOLECULAR FIELD ANALYSIS; ELECTROSTATIC CONTRIBUTIONS; HIV-1 REVERSE TRANSCRIPTASE; NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS; OPTIMUM NUMBER; PREDICTIVE ABILITIES; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (3D QSAR);

COMPUTATIONAL CHEMISTRY;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; BENZENE; OXYGEN; PYRIMIDINE; PYRIMIDINE DERIVATIVE; REVERSE TRANSCRIPTASE, HUMAN IMMUNODEFICIENCY VIRUS 1; RNA DIRECTED DNA POLYMERASE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; ELECTRICITY; METABOLISM; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTI-HIV AGENTS; BENZENE; ELECTROSTATICS; HIV REVERSE TRANSCRIPTASE; MODELS, MOLECULAR; MOLECULAR STRUCTURE; OXYGEN; PROTEIN BINDING; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 52049088542     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8001217     Document Type: Article

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