Predicting drug metabolism: experiment and/or computation?

Détails

ID Serval
serval:BIB_72DBBB6A778D
Type
Article: article d'un périodique ou d'un magazine.
Sous-type
Synthèse (review): revue aussi complète que possible des connaissances sur un sujet, rédigée à partir de l'analyse exhaustive des travaux publiés.
Collection
Publications
Titre
Predicting drug metabolism: experiment and/or computation?
Périodique
Nature Reviews. Drug Discovery
Auteur(s)
Kirchmair J., Göller A.H., Lang D., Kunze J., Testa B., Wilson I.D., Glen R.C., Schneider G.
ISSN
1474-1784 (Electronic)
ISSN-L
1474-1776
Statut éditorial
Publié
Date de publication
2015
Peer-reviewed
Oui
Volume
14
Numéro
6
Pages
387-404
Langue
anglais
Notes
Publication types: Journal Article Publication Status: ppublish
Résumé
Drug metabolism can produce metabolites with physicochemical and pharmacological properties that differ substantially from those of the parent drug, and consequently has important implications for both drug safety and efficacy. To reduce the risk of costly clinical-stage attrition due to the metabolic characteristics of drug candidates, there is a need for efficient and reliable ways to predict drug metabolism in vitro, in silico and in vivo. In this Perspective, we provide an overview of the state of the art of experimental and computational approaches for investigating drug metabolism. We highlight the scope and limitations of these methods, and indicate strategies to harvest the synergies that result from combining measurement and prediction of drug metabolism.
Pubmed
Web of science
Création de la notice
29/06/2015 13:40
Dernière modification de la notice
03/03/2018 18:18
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