Molecular field analysis and 3D-quantitative structure-activity relationship study (MFA 3D-QSAR) unveil novel features of BHe add recognition at TGR5

Journal of Chemical Information and Modeling

Volumn 48, Issue 9, 2008, Pages 1792-1801

  Macchiarulo, Antonio ^a   Gioiello, Antimo ^a   Thomas, Charles ^b   Massarotti, Alberto ^a   Nuti, Roberto ^a   Rosatelli, Emiliano ^a   Sabbatini, Paola ^a   Schoonjans, Kristina ^b   Auwerx, Johan ^b,c,d   Pellicciari, Roberto ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

^b CNRS   (France)

^c INSTITUT CLINIQUE DE LA SOURIS   (France)

^d EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR INTERACTIONS; MOLECULAR STRUCTURE; PREDICTIVE ANALYTICS; STRUCTURES (BUILT OBJECTS);

CURRENT STRUCTURE; LUCIFERASE ASSAYS; MEMBRANE RECEPTORS; MOLECULAR FIELD ANALYSIS; MOLECULAR INTERACTION FIELDS; PREDICTIVE ABILITIES; PREDICTIVE MODELING; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP STUDIES;

COMPUTATIONAL CHEMISTRY;

BILE ACID; G PROTEIN COUPLED RECEPTOR; GPBAR1 PROTEIN, HUMAN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG POTENTIATION; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING;

BILE ACIDS AND SALTS; COMPUTER SIMULATION; IMAGING, THREE-DIMENSIONAL; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, G-PROTEIN-COUPLED;

EID: 54249119158     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800196h     Document Type: Article

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