Three-dimensional modelling of human cytochrome P450 1A2 and its interaction with caffeine and MeIQ

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 4, 1997, Pages 395-408

  Lozano, J J ^a   Lopez De Brinas E ^a   Centeno, N B ^a   Guigo R ^a   Sanz, F ^a  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

Assessment of secondary structure prediction methods; AUTODOCK; Molecular electrostatic potential; Sequence alignment strategies; Solvation

Indexed keywords

ALIGNMENT; CAFFEINE; ELECTROSTATICS; FORECASTING; MOLECULAR MECHANICS; MOLECULES; PROTEINS;

3D STRUCTURE; ASSESSMENT OF SECONDARY STRUCTURE PREDICTION METHOD; AUTODOCK; HUMAN CYTOCHROMES P450; MOLECULAR ELECTROSTATIC POTENTIALS; PREDICTION METHODS; SECONDARY STRUCTURE PREDICTION; SEQUENCE ALIGNMENT STRATEGY; SEQUENCE ALIGNMENTS; THREE DIMENSIONAL MODELLING;

SUBSTRATES;

2 AMINO 3,4 DIMETHYLIMIDAZO(4,5 F)QUINOLINE; 2-AMINO-3,4-DIMETHYLIMIDAZO(4,5-F)QUINOLINE; BACTERIAL PROTEIN; BIFUNCTIONAL REDUCTASE CYP102, BACILLUS MEGATERIUM; CAFFEINE; CYTOCHROME P450; CYTOCHROME P450 1A2; MIXED FUNCTION OXIDASE; QUINOLINE DERIVATIVE;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; HUMAN; METABOLISM; MOLECULAR GENETICS; NUCLEOTIDE SEQUENCE; PROTEIN CONFORMATION; PROTEIN SECONDARY STRUCTURE; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY;

AMINO ACID SEQUENCE; BACTERIAL PROTEINS; BINDING SITES; CAFFEINE; COMPUTER SIMULATION; CONSERVED SEQUENCE; CYTOCHROME P-450 CYP1A2; CYTOCHROME P-450 ENZYME SYSTEM; HUMANS; MIXED FUNCTION OXYGENASES; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; PROTEIN CONFORMATION; PROTEIN STRUCTURE, SECONDARY; QUINOLINES; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY, AMINO ACID; SOFTWARE;

EID: 0031181686     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007947411145     Document Type: Article

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