A computational model of the inhibition of Mycobacterium tuberculosis ATPase by a new drug candidate R207910

Proteins: Structure, Function and Genetics

Volumn 67, Issue 4, 2007, Pages 971-980

  De Jonge, Marc R ^a,d   Koymans, Luc H M ^a   Guillemont, Jérôme E G ^b   Koul, Anil ^c   Andries, Koen ^c  

^a Campus Blairon 424   (Belgium)

^b JOHNSON AND JOHNSON   (United States)

^c JANSSEN RESEARCH AND DEVELOPMENT   (Belgium)

^d MolMo Services   (Belgium)

Author keywords

ATP synthase; ATPase; Diarylquinoline; Docking; F0 F1; Fo F1; Homology; Mode of action; Stereochemistry

Indexed keywords

1 (6 BROMO 2 METHOXY 3 QUINOLINYL) 4 DIMETHYLAMINO 2 (1 NAPHTHYL) 1 PHENYL 2 BUTANOL; ADENOSINE TRIPHOSPHATASE; ARGININE; DIARYLQUINOLINE; GLUTAMIC ACID; QUINOLINE DERIVATIVE; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CONFORMATION; CONTROLLED STUDY; DRUG ACTIVITY; ENZYME BINDING; LIGAND BINDING; MOLECULAR DYNAMICS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PRIORITY JOURNAL; PROTON TRANSPORT; SIMULATION; STEREOISOMERISM;

ADENOSINE TRIPHOSPHATASES; AMINO ACID SEQUENCE; BINDING SITES; COMPUTER SIMULATION; ENZYME INHIBITORS; FENFLURAMINE; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MYCOBACTERIUM TUBERCULOSIS; PROTEIN BINDING; PROTEIN FOLDING; PROTEIN STRUCTURE, QUATERNARY; PROTEIN SUBUNITS; QUINOLINES; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID;

MYCOBACTERIUM TUBERCULOSIS;

EID: 34248545958     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21376     Document Type: Article

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