Journal ArticleDOI
Meeting report of the first European biotransformation workshop
TLDR
The challenges and opportunities in the field of biotransformation were presented and discussed at the 1st European Biotransformation workshop which was conducted virtually in collaboration with the DMDG 27 January 2021 as mentioned in this paper.Abstract:
1. Challenges and opportunities in the field of biotransformation were presented and discussed at the 1st European Biotransformation workshop which was conducted virtually in collaboration with the DMDG 27 January 2021. Here we summarize the presentations and discussions from this workshop.The following topics were covered:2. Needs for radiolabel for IND filing versus quantitation without standards.3. Applications of cyclic ion mobility in the field of biotransformation.4. Computational predictions of xenobiotic metabolism.5. Future (outsourcing) needs in biotransformation.6. Genotoxicity risk assessment of metabolites and qualification of impurities using metabolite data.7. Regulatory aspects of MIST.read more
Citations
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The 50th anniversary of the DMDG
Simone Taylor,James A. Henshall,Kevin Beaumont,Steve Hood,Barry Jones,Ian Wilson,Dennis R. Smith +6 more
TL;DR: Taylor et al. as discussed by the authors presented a study on early oncology DMPK in the early stage of cancer using a clinical trial at the University of London's Department of Metabolism, Digestion and Reproduction.
References
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FAME 3: Predicting the Sites of Metabolism in Synthetic Compounds and Natural Products for Phase 1 and Phase 2 Metabolic Enzymes
Martin Šícho,Martin Šícho,Conrad Stork,Angelica Mazzolari,Christina de Bruyn Kops,Alessandro Pedretti,Bernard Testa,Giulio Vistoli,Daniel Svozil,Johannes Kirchmair +9 more
TL;DR: Results from case studies with several synthetic compounds, natural products and natural product derivatives demonstrate the agreement between model predictions and literature data even for molecules with structural patterns clearly distinct from those present in the training data.
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GLORYx: Prediction of the Metabolites Resulting from Phase 1 and Phase 2 Biotransformations of Xenobiotics
Christina de Bruyn Kops,Martin Šícho,Angelica Mazzolari,Johannes Kirchmair,Johannes Kirchmair +4 more
TL;DR: GLORYx is presented, which integrates machine learning-based site of metabolism (SoM) prediction with reaction rule sets to predict and rank the structures of metabolites that could potentially be formed by phase 1 and/or phase 2 metabolism.
Journal ArticleDOI
Addressing MIST (Metabolites in Safety Testing): bioanalytical approaches to address metabolite exposures in humans and animals.
Hongying Gao,R. Scott Obach +1 more
TL;DR: This data driven bioanalysis strategy to address MIST issues within standard drug development processes is described, and various bioanalytical approaches to evaluate the exposure of metabolites in animal vs. human are described.
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Drug Disposition Classification Systems in Discovery and Development: A Comparative Review of the BDDCS, ECCS and ECCCS Concepts
TL;DR: The details, differences and most important applications of the three compound disposition classification concepts are reviewed with particular emphasis of their roles for drug discovery and development.
Journal ArticleDOI
Absorption, Metabolism, and Excretion, In Vitro Pharmacology, and Clinical Pharmacokinetics of Ozanimod, a Novel Sphingosine 1-Phosphate Receptor Modulator.
Sekhar Surapaneni,Usha Yerramilli,April Bai,Deepak Dalvie,Jennifer Brooks,Xiaomin Wang,Julie V. Selkirk,Yingzhuo Grace Yan,Peijin Zhang,Richard Hargreaves,Gondi Kumar,Maria Palmisano,Jonathan Q. Tran +12 more
TL;DR: Ozanimod was extensively metabolized, with 14 metabolites identified, including two major active metabolites (CC112273 and CC1084037) and one major inactive metabolite (RP101124) in circulation as discussed by the authors.