Molecular modelling of human CYP2D6 and molecular docking of a series of ajmalicine- and quinidine-like inhibitors

International Journal of Biological Macromolecules

Volumn 42, Issue 4, 2008, Pages 362-371

  Saraceno, Marilena ^a   Coi, Alessio ^a   Bianucci, Anna Maria ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

CYP2D6; Inhibitors; Molecular docking; Molecular modelling

Indexed keywords

16 (HYDROXYMETHYL) 17 HYDROXYYOHIMBAN; 16,17 DIDEHYDRO 16 (HYDROXYMETHYL) 19A METHYLOXAYOHIMBAN; 5 METHOXYTRIPTAMINE; AJMALICINE; CATHENAMINE; CYTOCHROME P450 2D6; HARMALOL; HARMAN; LIGAND; QUINIDINE; QUININONE; SEMPERVIRINE; SERPENTINE; UNCLASSIFIED DRUG; YOHIMBINE; YOHIMBINE DERIVATIVE;

ARTICLE; CONFORMATIONAL TRANSITION; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENERGY TRANSFER; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME STRUCTURE; MOLECULAR MODEL;

BINDING SITES; CROSS-LINKING REAGENTS; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 CYP2D6; ENZYME INHIBITORS; HUMANS; KINETICS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; QUINIDINE; SECOLOGANIN TRYPTAMINE ALKALOIDS; THERMODYNAMICS;

EID: 41549086892     PISSN: 01418130     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijbiomac.2008.01.009     Document Type: Article

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