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Drug Metabolism Prediction

Medium: Buch
ISBN: 978-3-527-33566-4
Verlag: Wiley VCH Verlag GmbH
Erscheinungstermin: 09.07.2014
Lieferfrist: bis zu 10 Tage

The first professional reference on this highly relevant topic, for drug developers, pharmacologists and toxicologists.

The authors provide more than a systematic overview of computational tools and knowledge bases for drug metabolism research and their underlying principles. They aim to convey their expert knowledge distilled from many years of experience in the field. In addition to the fundamentals, computational approaches and their applications, this volume provides expert accounts of the latest experimental methods for investigating drug metabolism in four dedicated chapters. The authors discuss the most important caveats and common errors to consider when working with experimental data.

Collating the knowledge gained over the past decade, this practice-oriented guide presents methods not only used in drug development, but also in the development and toxicological assessment of cosmetics, functional foods, agrochemicals, and additives for consumer goods, making it an invaluable reference in a variety of disciplines.


Produkteigenschaften


  • Artikelnummer: 9783527335664
  • Medium: Buch
  • ISBN: 978-3-527-33566-4
  • Verlag: Wiley VCH Verlag GmbH
  • Erscheinungstermin: 09.07.2014
  • Sprache(n): Englisch
  • Auflage: 1. Auflage 2014
  • Serie: Methods and Principles in Medicinal Chemistry
  • Produktform: Gebunden
  • Gewicht: 1266 g
  • Seiten: 536
  • Format (B x H x T): 176 x 246 x 32 mm
  • Ausgabetyp: Kein, Unbekannt
Autoren/Hrsg.

Herausgeber

Weitere Mitwirkende

PART I: INTRODUCTIONMetabolism in Drug DevelopmentPART II: SOFTWARE, WEB SERVERS AND DATA RESOURCES TO STUDY METABOLISMSoftware for Metabolism PredictionOnline Databases and Web Servers for Drug Metabolism ResearchPART III: COMPUTATIONAL APPROACHES TO STUDY CYTOCHROME P450 ENZYMESStructure and Dynamics of Human Drug-Metabolizing Cytochrome P450 EnzymesCytochrome P450 Substrate Recognition and BindingQM/MM Studies of Structure and Reactivity of Cytochrome P450 Enzymes: Methodology and Selected ApplicationsComputational Free Energy Methods for Ascertaining Ligand Interaction with Metabolizing EnzymesExperimental Approaches to Analysis of Reactions of Cytochrome P450 EnzymesPART IV: COMPUTATIONAL APPROACHES TO STUDY SITES AND PRODUCTS OF METABOLISMMolecular Interaction Fields for Predicting the Sites and Products of MetabolismStructure-Based Methods for Predicting the Sites and Products of MetabolismReactivity-Based Approaches and Machine Learning Methods for Predicting the Sites of Cytochrome P450-Mediated MetabolismKnowledge-Based Approaches for Predicting the Sites and Products of MetabolismPART V: COMPUTATIONAL APPROACHES TO STUDY ENZYME INHIBITION AND INDUCTIONQuantitative Structure-Activity Relationship (QSAR) Methods for the Prediction of Substrates, Inhibitors and Inducers of Metabolic EnzymesPharmacophore-Based Methods for Predicting the Inhibition and Induction of Metabolic EnzymesPrediction of Phosphoglycoprotein (P-gp)-Mediated Disposition in Early Drug DiscoveryPredicting Toxic Effects of MetabolitesPART VI: EXPERIMENTAL APPROACHES TO STUDY METABOLISMIn vitro Models for Metabolism: Applicability for Research on Food BioactivesIn vitro Approaches to Study Drug-Drug InteractionsMetabolite Detection and ProfilingIndex