Integrating Medicinal Chemistry and Mass Spectrometry: New Opportunities and Challenges

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 30 June 2025 | Viewed by 37

Special Issue Editor


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Guest Editor
Department of Drug Chemistry and Technologies, Sapienza University of Rome, 00185 Rome, Italy
Interests: drug discovery; mass spectrometry; medicinal chemistry; structural biology

Special Issue Information

Dear Colleagues,

Mass spectrometry (MS) is an indispensable tool in medicinal chemistry due to its ability to provide precise and detailed information about different aspects of potential therapeutics. These include structural elucidation, drug metabolism and pharmacokinetics evaluation, and analysis of drug modes of action, thereby supporting various stages of drug development, from discovery through production and quality control, enhancing our understanding of drug behavior, and improving the safety and efficacy of pharmaceuticals. Beyond this, structural MS approaches such as native MS and hydrogen–deuterium exchange MS (HDX-MS) are emerging as powerful technologies for analyzing the interactions between drugs and their targets as well as the influence of small molecules on protein–protein interactions. These techniques bear great potential for guiding the design of novel pharmaceuticals since they offer unique insights into the structure, dynamics, and interactions of biomolecules. The objective of this Special Issue is to gather original and review articles focusing on the latest applications of MS-based methods for the discovery and development of novel drugs, including small molecules, peptides, proteins, and nucleic acids. Overall, this Special Issue aims to showcase the latest advancements in combining mass spectrometry with medicinal chemistry.

Dr. Francesco Fiorentino
Guest Editor

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. Pharmaceuticals 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 2900 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

  • drug discovery
  • medicinal chemistry
  • mass spectrometry
  • chemical biology
  • structural biology

Published Papers

This special issue is now open for submission.
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