Computational analysis of aza analogues of 2′,5′-bis-O-(tert- butyldimethylsilyl)-β-D-ribofuranosel-3′-spiro-5″(4″- amino-1″,2″-oxathiole-2″,2″-dioxide) (TSAO) as HIV-1 reverse transcriptase inhibitors: Relevance of conformational properties on the inhibitory activity

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1666-1677

  Soriano, Elena ^a   Marco Contelles, José ^b   Tomassi, Cyrille ^c   Van Nhien, Albert Nguyen ^c   Postel, Denis ^c  

^a INSTITUTO DE INVESTIGACIONES BIOMÉDICAS ALBERTO SOLS   (Spain)

^b INSTITUTO DE QUÍMICA ORGÁNICA GENERAL   (Spain)

^c UNIVERSITÉ DE PICARDIE JULES VERNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CONFORMATIONS; ELECTROSTATICS; STEREOCHEMISTRY; SUBSTITUTION REACTIONS; THEOREM PROVING;

AZA ANALOGUES; ENDOCYCLIC AMINO MOIETY; HIV-1 REVERSE TRANSCRIPTASE INHIBITORS; QUANTUM MECHANICAL CALCULATIONS;

ENZYME INHIBITION;

1 (2',5' BIS O (TERT BUTYLDIMETHYLSILYLRIBOFURANOSYL) 3 N METHYLTHYMINE) 3' SPIRO 5'' (4'' AMINO 1'',2'' OXATHIOLE 2'',2'' DIOXIDE); 1-(2',5'-BIS-O-(TERT-BUTYLDIMETHYLSILYLRIBOFURANOSYL)-3-N-METHYLTHYMINE)-3'-SPIRO-5''-(4''-AMINO-1'',2''-OXATHIOLE-2'',2''-DIOXIDE); DRUG DERIVATIVE; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; SPIRO COMPOUND; THYMIDINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; STRUCTURE ACTIVITY RELATION;

HIV-1 REVERSE TRANSCRIPTASE; MODELS, MOLECULAR; MOLECULAR CONFORMATION; REVERSE TRANSCRIPTASE INHIBITORS; SPIRO COMPOUNDS; STRUCTURE-ACTIVITY RELATIONSHIP; THYMIDINE;

EID: 33746926347     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0600410     Document Type: Article

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