Drug Metabolism, Interactions and Toxicity: Advances in Metabolomics Approaches
A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Pharmacology and Drug Metabolism".
Deadline for manuscript submissions: 28 February 2026 | Viewed by 32
Special Issue Editors
Interests: drug metabolism; drug toxicity; ADME; pharmacokinetics; new modalities; MS-based metabolomics
Special Issues, Collections and Topics in MDPI journals
Interests: prescription drug negative side effects in the heart, skeletal muscle and bone; associated chemical mechanisms for this toxicity; drug-endogenous substrate interactions; pharmacogenetics
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Issues related to drug safety remain a major bottleneck in drug discovery and development. Metabolites reflect the integrated readout of various biological processes (gene expression, mRNA transcription, protein expression) and are influenced by environmental factors (microorganism, xenobiotics, dietary and other exogenous components). Recent advancements in analytical technologies and computational methods in metabolomics have enabled researchers to efficiently analyze the alterations in a large number of endogenous and exogenous compounds and identify perturbed biological processes after drug treatment. Additionally, enhancements in advanced in vitro models, such as 3D systems, organoids, and microphysiological systems (MPS), exhibit the potential to recapture organ-specific cellular functionality and the physiological dynamics of human tissues. These new advancements have provided valuable tools in studying the toxicological response to drug treatments. Drug–endobiotic interactions provide a valuable approach to evaluating the toxicological impact of drug treatments, offering insights into how pharmacological agents perturb endogenous biochemical networks and contribute to adverse effects. These interactions can be leveraged for toxicity assessment, the development of safety biomarkers, the prediction of adverse events, and enhancing our mechanistic understanding of the toxicological effects associated with both investigational drug candidates and approved drugs.
This Special Issue is devoted to metabolomics in drug toxicity, with a focus on drug metabolism, drug–drug (food) interactions, and drug–endobiotic interactions. The scope of this Special Issue includes, but is not limited to, studies on targeted and untargeted metabolomic analyses, multi-omics integration, and computational modeling to characterize how investigational drug candidates and approved drugs perturb the endobiotic network; drug–endobiotic interactions; the development of endogenous probes for drug–drug (food) interactions; the development of biomarkers for toxicity assessment and prediction; and the identification of the mechanisms and molecular pathways involved in drug toxicity. Other topics with a similar focus will also be considered.
Dr. Pengcheng Wang
Prof. Dr. Rheem A. Totah
Guest Editors
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- metabolomics
- drug/xenobiotic metabolism
- drug–drug interactions
- drug–endobiotic interactions
- drug toxicity
- biomarkers
- ADME
- 3D in vitro model
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