The
View from Here
Sean Ekins
From a pharmaceutical perspective it is important to understand the metabolism of a new chemical entity as early as possible, as metabolic transformations in vivo can modify bioavailability, efficacy, chronic toxicity and rate and route of excretion...
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Upcoming
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Issue 8/August '06
RNAi for target discovery and validation
Issue 9/September '06
R&D Strategy
Issue 10/October '06
Medicinal Chemistry
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Top
Reviews
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Designing
better drugs: predicting cytochrome P450 metabolism
Marcel
J. de Groot
Drug Discovery Today
Many
3D ligand-based and structure-based computational approaches have
been used to predict, and thus help explain, the metabolism catalyzed
by the enzymes of the cytochrome P450 superfamily (P450s). P450s
are responsible for >90% of the metabolism of all drugs, so the
computational prediction of metabolism can help to design out drug–drug
interactions in the early phases of the drug discovery process...
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New perspectives on the impact of cytochrome P450
3A expression for pediatric pharmacology
Jeffrey
C. Stevens
Drug Discovery Today
Advances in the basic and clinical sciences of drug actions and
safety have been applied almost exclusively to the largest demographic
patient group – adults. Metabolism-dependent drug clearance
is not only a primary determinant for obtaining efficacious drug
exposure, but could also demonstrate clear age-dependence...
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Bridging
cheminformatic metabolite prediction and tandem mass spectrometry
M. Reza Anari and Thomas A. Baillie
Drug Discovery Today
Despite recent technological advances, the analysis of biological
samples for metabolite identification purposes often requires prior
knowledge of the metabolite masses to successfully acquire high
quality mass spectral data in the presence of intense background
and interfering matrix signals...
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Abstracts of Key Research Articles
Comparative
analysis of substrate and inhibitor interactions with CYP3A4 and
CYP3A5
Soars M G, Grime K, Riley RJ
Xenobiotica, Volume 36, Number 4, April 2006, pp. 287-299(13)
Crystal
structure of human cytochrome P450 2D6
Rowland P et
al.
J Biol Chem. 2006 Mar 17;281(11):7614-22
Predicting
in vivo drug interactions from in vitro drug discovery
data
Wienkers LC, Heath TG
Nat Rev Drug Discov. 2005 Oct;4(10):825-33
Identification
of a novel in vitro metabonate from liver microsomal
incubations
Chun Li et
al.
Drug Metab Dispos 2006 34: 901-905
The
human intestinal cytochrome P450 “pie”
Mary F. Paine et al.
Drug Metab Dispos 2006 34: 880-886
In
silico and in vitro screening for inhibition of
cytochrome P450 CYP3A by comedications commonly used by patients
with cancer
Jean-Didier Marechal et al.
Drug Metab Dispos 2006 34: 534-538
Transient
inhibition of CYP3A in rats by star fruit juice
Muneaki Hidaka et
al.
Drug Metab Dispos 2006 34: 343-345
A
combined approach to drug metabolism and toxicity assessment
Sean Ekins et al.
Drug Metab Dispos 2006 34: 495-503
MetaSite:
understanding metabolism in human cytochromes from the perspective
of the chemist
Cruciani G et al.
J Med Chem. 2005 Nov 3;48(22):6970-9
Evaluation
of 170 Xenobiotics as Transactivators of Human Pregnane X Receptor
(hPXR) and Correlation to Known CYP3A4 Drug Interactions
Sinz M
et al.
Curr Drug Metab. 2006 May;7(4):375-88 |
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RELATED
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ELNS
& Laboratory Informatics 2006
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