Literature DB >> 22305937

Reactions and enzymes in the metabolism of drugs and other xenobiotics.

Bernard Testa1, Alessandro Pedretti, Giulio Vistoli.   

Abstract

In this article, we offer an overview of the compared quantitative importance of biotransformation reactions in the metabolism of drugs and other xenobiotics, based on a meta-analysis of current research interests. Also, we assess the relative significance the enzyme (super)families or categories catalysing these reactions. We put the facts unveiled by the analysis into a drug discovery context and draw some implications. The results confirm the primary role of cytochrome P450-catalysed oxidations and UDP-glucuronosyl-catalysed glucuronidations, but they also document the marked significance of several other reactions. Thus, there is a need for several drug discovery scientists to better grasp the variety of drug metabolism reactions and enzymes and their consequences.
Copyright © 2012 Elsevier Ltd. All rights reserved.

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Year:  2012        PMID: 22305937     DOI: 10.1016/j.drudis.2012.01.017

Source DB:  PubMed          Journal:  Drug Discov Today        ISSN: 1359-6446            Impact factor:   7.851


  40 in total

1.  QSAR modeling: where have you been? Where are you going to?

Authors:  Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal:  J Med Chem       Date:  2014-01-06       Impact factor: 7.446

Review 2.  Predicting drug metabolism: experiment and/or computation?

Authors:  Johannes Kirchmair; Andreas H Göller; Dieter Lang; Jens Kunze; Bernard Testa; Ian D Wilson; Robert C Glen; Gisbert Schneider
Journal:  Nat Rev Drug Discov       Date:  2015-04-24       Impact factor: 84.694

3.  Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database.

Authors:  Angelica Mazzolari; Avid M Afzal; Alessandro Pedretti; Bernard Testa; Giulio Vistoli; Andreas Bender
Journal:  ACS Med Chem Lett       Date:  2019-02-12       Impact factor: 4.345

4.  Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism.

Authors:  Tyler B Hughes; S Joshua Swamidass
Journal:  Chem Res Toxicol       Date:  2017-02-02       Impact factor: 3.739

Review 5.  Flavin Containing Monooxygenases and Metabolism of Xenobiotics.

Authors:  Rahman Başaran; Benay Can Eke
Journal:  Turk J Pharm Sci       Date:  2017-04-15

6.  Computational Approach to Structural Alerts: Furans, Phenols, Nitroaromatics, and Thiophenes.

Authors:  Na Le Dang; Tyler B Hughes; Grover P Miller; S Joshua Swamidass
Journal:  Chem Res Toxicol       Date:  2017-03-14       Impact factor: 3.739

7.  In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations.

Authors:  Christin Rakers; Fabian Schumacher; Walter Meinl; Hansruedi Glatt; Burkhard Kleuser; Gerhard Wolber
Journal:  J Biol Chem       Date:  2015-11-05       Impact factor: 5.157

8.  Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software.

Authors:  Megan L Peach; Alexey V Zakharov; Ruifeng Liu; Angelo Pugliese; Gregory Tawa; Anders Wallqvist; Marc C Nicklaus
Journal:  Future Med Chem       Date:  2012-10       Impact factor: 3.808

9.  Chronic administration of caderofloxacin, a new fluoroquinolone, increases hepatic CYP2E1 expression and activity in rats.

Authors:  Li Liu; Ming-xing Miao; Ze-yu Zhong; Ping Xu; Yang Chen; Xiao-dong Liu
Journal:  Acta Pharmacol Sin       Date:  2016-02-01       Impact factor: 6.150

10.  The Metabolic Rainbow: Deep Learning Phase I Metabolism in Five Colors.

Authors:  Na Le Dang; Matthew K Matlock; Tyler B Hughes; S Joshua Swamidass
Journal:  J Chem Inf Model       Date:  2020-02-24       Impact factor: 4.956

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