Software-aided cytochrome P450 reaction phenotyping and kinetic analysis in early drug discovery

Predicting drug metabolism: experiment and/or computation?

(2015) Johannes Kirchmair et al.   NATURE REVIEWS DRUG DISCOVERY

Metabolism of JWH-015, JWH-098, JWH-251, and JWH-307 in silico and in vitro: a pilot study for the detection of unknown synthetic cannabinoids metabolites

(2014) Sabina Strano-Rossi et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Software automation tools for increased throughput metabolic soft-spot identification in early drug discovery

(2013) Veronica Zelesky et al.   Bioanalysis

Update on hydrocodone metabolites in rats and dogs aided with a semi-automatic software for metabolite identification Mass-MetaSite

(2012) Austin C. Li et al.   XENOBIOTICA

Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450

(2011) J. Olah et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Utility of Intersystem Extrapolation Factors in Early Reaction Phenotyping and the Quantitative Extrapolation of Human Liver Microsomal Intrinsic Clearance Using Recombinant Cytochromes P450

(2010) Y. Chen et al.   DRUG METABOLISM AND DISPOSITION

In Vitro Evaluation of Potential Drug-Drug Interactions with Ticagrelor: Cytochrome P450 Reaction Phenotyping, Inhibition, Induction, and Differential Kinetics

(2010) D. Zhou et al.   DRUG METABOLISM AND DISPOSITION

Metabolism of 1'- and 4-Hydroxymidazolam by Glucuronide Conjugation Is Largely Mediated by UDP-Glucuronosyltransferases 1A4, 2B4, and 2B7

(2010) K.-A. Seo et al.   DRUG METABOLISM AND DISPOSITION

Enhanced metabolite identification with MSE and a semi-automated software for structural elucidation

(2010) Britta Bonn et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

In Vitro and in Vivo Induction of Cytochrome P450: A Survey of the Current Practices and Recommendations: A Pharmaceutical Research and Manufacturers of America Perspective

(2009) V. Chu et al.   DRUG METABOLISM AND DISPOSITION

Two-injection workflow for a liquid chromatography/LTQ-Orbitrap system to completein vivobiotransformation characterization: demonstration with buspirone metabolite identification

(2009) Austin C. Li et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Reaction Phenotyping: Current Industry Efforts to Identify Enzymes Responsible for Metabolizing Drug Candidates

(2008) Timothy W. Harper et al.   AAPS Journal

The Molecular Basis of CYP2D6-Mediated N-Dealkylation: Balance between Metabolic Clearance Routes and Enzyme Inhibition

(2008) B. Bonn et al.   DRUG METABOLISM AND DISPOSITION

Metabolic Soft Spot Identification and Compound Optimization in Early Discovery Phases Using MetaSite and LC-MS/MS Validation

(2008) Markus Trunzer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Isolation and characterization of a new human urinary metabolite of diclofenac applying LC–NMR–MS and high-resolution mass analyses

(2008) Dele Stülten et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Cytochrome P450 and Chemical Toxicology

(2007) F. Peter Guengerich   CHEMICAL RESEARCH IN TOXICOLOGY