Toward reduction in animal sacrifice for drugs: Molecular modeling of Macaca fascicularis P450 2C20 for virtual screening of Homo sapiens P450 2C8 substrates

Biotechnology and Applied Biochemistry

Volumn 59, Issue 6, 2012, Pages 479-489

  Rua, Francesco ^a   Di Nardo, Giovanna ^a   Sadeghi, Sheila J ^a   Gilardi, Gianfranco ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

Animal drug testing; Cytochrome P450; Drug metabolism; In silico screening; Molecular modeling

Indexed keywords

ACTIVE SITE; ANIMAL SACRIFICE; CYTOCHROME P450; DRUG METABOLISMS; DRUG TESTING; HOMO SAPIENS; HUMAN CYTOCHROME; HUMAN HOMOLOGUE; IN-SILICO SCREENING; KEY RESIDUES; PACLITAXEL; ROOT-MEAN SQUARE DEVIATION; THREE-DIMENSIONAL HOMOLOGY MODEL; VIRTUAL SCREENING;

BIODIVERSITY; METABOLISM; MOLECULAR MODELING; PHYSIOLOGY; THREE DIMENSIONAL;

SUBSTRATES;

ALMOTRIPTAN; AMINO ACID; CARBAMAZEPINE; CERIVASTATIN; CYCLOPHOSPHAMIDE; CYTOCHROME P450; CYTOCHROME P450 2C20; CYTOCHROME P450 2C8; DAPSONE; DICLOFENAC; GLICLAZIDE; IMATINIB; LANSOPRAZOLE; LIDOCAINE; LOPERAMIDE; METHADONE; MIRTAZAPINE; MORPHINE; PERPHENAZINE; PROPOFOL; RETINOIC ACID; ROSIGLITAZONE; SELEGILINE; TEMAZEPAM; TERBINAFINE; TOLBUTAMIDE; TROGLITAZONE; UNCLASSIFIED DRUG; VERAPAMIL; ZIDOVUDINE; ZOPICLONE;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL STRUCTURE; ENZYME ACTIVE SITE; EXPERIMENTAL ANIMAL; HUMAN; MACACA FASCICULARIS; MOLECULAR MODEL; NONHUMAN; SEQUENCE ANALYSIS;

AMINO ACID SEQUENCE; ANIMALS; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 ENZYME SYSTEM; DRUG EVALUATION, PRECLINICAL; HUMANS; LIGANDS; MACACA FASCICULARIS; MOLECULAR DOCKING SIMULATION; MOLECULAR SEQUENCE DATA; PHARMACEUTICAL PREPARATIONS; PROTEIN STRUCTURE, SECONDARY; THERMODYNAMICS; USER-COMPUTER INTERFACE;

ANIMALIA; HOMO SAPIENS; MACACA FASCICULARIS;

EID: 84872776294     PISSN: 08854513     EISSN: 14708744     Source Type: Journal    
DOI: 10.1002/bab.1051     Document Type: Article

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