Drug Metabolism Prediction

Covering computational as well as in vitro approaches, this practice–oriented guide explains methods and strategies for the prediction of metabolic fates of drugs and other xenobiotics for an audience of drug developers, pharmacologists and toxicologists. INDICE: METABOLISM OF DRUGS AND OTHER XENOBIOTICS Metabolism in Drug Discovery Computational Approaches to Metabolism Prediction Data and Online Resources for Metabolism CYTOCHROME P450 ENZYMES Cytochrome P450 Enzymes: Structure, Function, Reactivity and Regulation QM/MM Approaches to Investigate the Structure, Function and Reactivity of Cytochrome P450 Enzymes DFT Calculations to Study the Reactivity of Cytochrome P450 Enzymes PREDICTING SITES AND PRODUCTS OF METABOLISM Knowledge–based Approaches for Predicting the Sites and Products of Metabolism Molecular Interaction Fields for Predicting the Sites and Products of Metabolism Reactivity–based Approaches and Machine Learning Methods for Predicting the Sites and Products of Metabolism Structure–based Methods for Predicting the Sites and Products of Metabolism PREDICTING INHIBITION AND INDUCTION OF METABOLIC ENZYMES QSAR and Machine Learning Methods for Predicting the Inhibition and Induction of Metabolic Enzymes Pharmacophore–based Methods for Predicting the Inhibition and Induction of Metabolic Enzymes Structure–based Methods for Predicting the Inhibition and Induction of Metabolic Enzymes Modelling Drug–Drug Interactions Predicting Toxic Effects of Metabolites EXPERIMENTAL METHODS FOR INVESTIGATING METABOLISM Cell Models for Investigating the Metabolic Fate of Organic Molecules Metabolomics Induction of Metabolic Enzymes Experimental Investigations of Cytochrome P450s

• ISBN: 978-3-527-33566-4
• Editorial: Wiley VCH
• Encuadernacion: Cartoné
• Páginas: 400
• Fecha Publicación: 23/07/2014
• Nº Volúmenes: 1
• Idioma: Inglés