Probing Small-Molecule Binding to Cytochrome P450 2D6 and 2C9: An In Silico Protocol for Generating Toxicity Alerts

ChemMedChem ◽  
2010 ◽  
Vol 5 (12) ◽  
pp. 2088-2101 ◽  
Author(s):  
Gianluca Rossato ◽  
Beat Ernst ◽  
Martin Smiesko ◽  
Morena Spreafico ◽  
Angelo Vedani
Keyword(s):  
Cytochrome P450 ◽  
Small Molecule ◽  
In Silico ◽  
Cytochrome P450 2D6 ◽  
P450 2D6

Metabolic Regio- and Stereoselectivity of Cytochrome P450 2D6 towards 3,4-Methylenedioxy-N-alkylamphetamines:  in Silico Predictions and Experimental Validation

2005 ◽  
Vol 48 (19) ◽  
pp. 6117-6127 ◽  
Author(s):  
Peter H. J. Keizers ◽  
Chris de Graaf ◽  
Frans J. J. de Kanter ◽  
Chris Oostenbrink ◽  
K. Anton Feenstra ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
In Silico ◽  
Experimental Validation ◽  
Cytochrome P450 2D6 ◽  
In Silico Predictions ◽  
P450 2D6

Validation of Model of Cytochrome P450 2D6:  An in Silico Tool for Predicting Metabolism and Inhibition

2004 ◽  
Vol 47 (22) ◽  
pp. 5340-5346 ◽  
Author(s):  
Carol A. Kemp ◽  
Jack U. Flanagan ◽  
Annamaria J. van Eldik ◽  
Jean-Didier Maréchal ◽  
C. Roland Wolf ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
In Silico ◽  
Cytochrome P450 2D6 ◽  
P450 2D6

Cytochrome P450 2D6 polymorphism in Lebanon. (c2003)

2003 ◽  
Author(s):  
Sarita Georges Saade
Keyword(s):  
Cytochrome P450 ◽  
Cytochrome P450 2D6 ◽  
P450 2D6

The Association Between Cytochrome P450 2D6 Genotype and Prescription Patterns of Antipsychotic and Antidepressant Drugs in Hospitalized Psychiatric Patients

2005 ◽  
Vol 25 (2) ◽  
pp. 188-191 ◽  
Author(s):  
Hans Mulder ◽  
Frederik W. Wilmink ◽  
Tim L. Beumer ◽  
Wim J. Tamminga ◽  
Jaap N. Jedema ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Psychiatric Patients ◽  
Antidepressant Drugs ◽  
Cytochrome P450 2D6 ◽  
Prescription Patterns ◽  
P450 2D6

From Genotype to Phenotype: Cytochrome P450 2D6-Mediated Drug Clearance in Humans

2017 ◽  
Vol 14 (3) ◽  
pp. 649-657 ◽  
Author(s):  
Jie Gao ◽  
Xin Tian ◽  
Jun Zhou ◽  
Ming-Zhu Cui ◽  
Hai-Feng Zhang ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Drug Clearance ◽  
Cytochrome P450 2D6 ◽  
P450 2D6

Arylacetamide κ opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity

2005 ◽  
Vol 15 (10) ◽  
pp. 2647-2652 ◽  
Author(s):  
Bertrand Le Bourdonnec ◽  
Christopher W. Ajello ◽  
Pamela R. Seida ◽  
Roberta G. Susnow ◽  
Joel A. Cassel ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Opioid Receptor ◽  
Inhibitory Activity ◽  
Cytochrome P450 2D6 ◽  
Receptor Agonists ◽  
Opioid Receptor Agonists ◽  
P450 2D6

Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis

2012 ◽  
Vol 20 (6) ◽  
pp. 2042-2053 ◽  
Author(s):  
Svava Ósk Jónsdóttir ◽  
Tine Ringsted ◽  
Nikolai G. Nikolov ◽  
Marianne Dybdahl ◽  
Eva Bay Wedebye ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Cytochrome P450 2D6 ◽  
Qsar Analysis ◽  
P450 2D6

scholarly journals Computational predictions of the site of metabolism of cytochrome P450 2D6 substrates: comparative analysis, molecular docking, bioactivation and toxicological implications

2015 ◽  
Vol 47 (3) ◽  
pp. 291-319 ◽  
Author(s):  
Kevin A. Ford ◽  
Gregory Ryslik ◽  
Jasleen Sodhi ◽  
Jason Halladay ◽  
Dolo Diaz ◽  
...  
Keyword(s):  
Cytochrome P450 ◽  
Molecular Docking ◽  
Comparative Analysis ◽  
Cytochrome P450 2D6 ◽  
P450 2D6 ◽  
Computational Predictions
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