Quantitatively interpreted enhanced inhibition of cytochrome P450s by heteroaromatic rings containing nitrogen

Journal of Chemical Information and Modeling

Volumn 51, Issue 5, 2011, Pages 1048-1063

  Leach, Andrew G ^a   Kidley, Nathan J ^a  

^a ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINITY; AROMATIC COMPOUNDS; COMPLEXATION; CRYSTALS; HYDROGEN BONDS; IRON; LIGANDS; PORPHYRINS; QUANTUM THEORY;

COMPUTATIONAL PROTOCOLS; DENSITY FUNCTIONALS; GEOMETRIC INFORMATION; HETEROAROMATIC COMPOUNDS; HYDROGEN BOND ACCEPTORS; PROTEIN-LIGAND COMPLEXES; QUANTUM-MECHANICAL CALCULATION; SPECTROSCOPIC CHANGES;

BINDING ENERGY;

CYTOCHROME P450; CYTOCHROME P450 INHIBITOR; HEME; HETEROCYCLIC COMPOUND; IRON; LIGAND; NITROGEN;

BINDING SITE; CHEMICAL PHENOMENA; CHEMISTRY; OXIDATION REDUCTION REACTION; QUANTUM THEORY; THERMODYNAMICS; ARTICLE; DRUG ANTAGONISM;

BINDING SITES; CYTOCHROME P-450 ENZYME INHIBITORS; CYTOCHROME P-450 ENZYME SYSTEM; HEME; HETEROCYCLIC COMPOUNDS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; IRON; LIGANDS; NITROGEN; OXIDATION-REDUCTION; QUANTUM THEORY; THERMODYNAMICS;

EID: 79960228477     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2000506     Document Type: Article

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