CoMFA 3D-QSAR analysis of HIV-1 RT nonnucleoside inhibitors, TIBO derivatives based on docking conformation and alignment

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 6, 2004, Pages 2167-2178

  Zhou, Zhigang ^a   Madura, Jeffry D ^a  

^a DUQUESNE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS); BINDING STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS (HIV);

BINDING ENERGY; CRYSTAL STRUCTURE; DERIVATIVES; DNA; GENETIC ALGORITHMS; IMMUNOLOGY; MOLECULAR ORIENTATION; MONTE CARLO METHODS; RNA; SYNTHESIS (CHEMICAL); VIRUSES;

ENZYME INHIBITION;

4,5,6,7 TETRAHYDROIMIDAZO (4,5,1 JK)(1,4)BENZODIAZEPIN 2 (1 H) ONE; 4,5,6,7-TETRAHYDROIMIDAZO-(4,5,1- JK)(1,4)BENZODIAZEPIN-2 (1 H)-ONE; BENZODIAZEPINE DERIVATIVE; IMIDAZOLE DERIVATIVE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; FACTUAL DATABASE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BENZODIAZEPINES; BINDING SITES; DATABASES, FACTUAL; HIV-1 REVERSE TRANSCRIPTASE; IMIDAZOLES; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS;

EID: 10044278313     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049893v     Document Type: Article

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