Special Issue "The Fate of Drugs under LC-MS/MS Analysis—Drug Metabolism, Pharmacometabolomics and Chemoproteomics"

A special issue of Separations (ISSN 2297-8739). This special issue belongs to the section "Bioanalysis/Clinical Analysis".

Deadline for manuscript submissions: 31 August 2023 | Viewed by 74

Special Issue Editors

Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, 1749-016 Lisboa, Portugal
Interests: mass spectrometry; drug metabolism; drug toxicity; metabolomics; pharmacometabolomics; proteomics; chemoproteomics; computational biochemistry; bioinformatics; drug repurposing
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Centro de Quimica Estrucural, Institute of Molecular Sciences, Instituto Superior Técnico, Universidade de Lisboa, 1049-001 Lisboa, Portugal
Interests: mass spectrometry; conservation and restoration; nutraceuticals; pigments; dyes
Special Issues, Collections and Topics in MDPI journals
UCIBIO/REQUIMTE, Department of Biological Sciences, Laboratory of Toxicology, Faculty of Pharmacy, University of Porto, Porto, Portugal
Interests: toxicology; GC-MS; biomarker discovery; toxicometabolomics
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Special Issue Information

Dear Colleagues,

Drug metabolism studies are of paramount importance in all phases of drug development. The use of liquid chromatography–tandem mass spectrometry approaches has continuously allowed for the identification of drug metabolites, which has contributed not only to a clear definition of the drug metabolic fate, but also to the identification of possible reactive metabolites that may be present at the onset of adverse drug reactions. To fulfill the ultimate goal of structure identification, liquid chromatography coupled to either low-resolution (LR) or high-resolution (HR) mass spectrometers is a first choice for routine structural studies. Tandem mass spectrometry (MS2 and above) allows for the univocal structural elucidation of metabolites with no limitation to the number of ions, particularly when coupled to high-scan-rate instruments in either data-dependent or data-independent modes; thus, the complete cellular composition of drugs can be identified, clarifying the pharmacometabolomic and the chemoproteomic changes caused by drugs.

With this Special Issue, we hope to create a forum for discussion on the latest developments in LC-MS/MS studies, focusing on the metabolic fate of drugs both from a technological point of view and from a chemistry and biological chemistry perspective.

Dr. Gonçalo J. Justino
Dr. Maria da Conceição Oliveira
Prof. Dr. Paula Guedes de Pinho
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. Separations 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 2000 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.


  • drug metabolism
  • mass spectrometry
  • LC-MS/MS methods
  • drug toxicity
  • metabolic profiling
  • pharmacometabolomics
  • chemoproteomics

Published Papers

This special issue is now open for submission.
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