Conformational analysis of R207910, a new drug candidate for the treatment of tuberculosis, by a combined NMR and molecular modeling approach

Chemical Biology and Drug Design

Volumn 68, Issue 2, 2006, Pages 77-84

  Gaurrand, Sandrine ^a   Desjardins, Stéphanie ^a,c   Meyer, Christophe ^a   Bonnet, Pascal ^a,d   Argoullon, Jean Michel ^a   Oulyadi, Hassan ^b   Guillemont, Jérôme ^a  

^a JOHNSON AND JOHNSON   (United States)

^b UNIVERSITÉ DE ROUEN   (France)

^c Essilor International   (France)

^d JANSSEN RESEARCH AND DEVELOPMENT   (Belgium)

Author keywords

Ab initio; Absolute configuration; Conformational analysis; Molecular modeling; Nuclear magnetic resonance; ROESY; X ray

Indexed keywords

1 (6 BROMO 2 METHOXY 3 QUINOLINYL) 4 DIMETHYLAMINO 2 (1 NAPHTHYL) 1 PHENYL 2 BUTANOL;

AB INITIO CALCULATION; ARTICLE; COMPARATIVE STUDY; DIASTEREOISOMER; DRUG CONFORMATION; DRUG IDENTIFICATION; DRUG STABILITY; DRUG STRUCTURE; EXPERIMENTAL DESIGN; HYDROGEN BOND; MOLECULAR MODEL; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; THEORETICAL STUDY; VALIDATION PROCESS; X RAY;

ANTITUBERCULAR AGENTS; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUINOLINES;

EID: 33749023878     PISSN: 17470277     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2006.00410.x     Document Type: Article

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