Advances in Medicinal Chemistry: 2nd Edition

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

Deadline for manuscript submissions: 31 October 2025 | Viewed by 359

Special Issue Editor


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School of Pharmacy and Pharmaceutical Sciences, Trinity Biomedical Sciences Institute, Trinity College Dublin, 152−160 Pearse Street, D02 R590 Dublin, Ireland
Interests: drug development; antiestrogens; in silico; breast cancer; design and synthesis; synthetic methods; amphetamines; anticancer drug design; carbapenem antibiotics; chemistry of drug metabolism; chemistry of drug receptor interactions; design and synthesis of drugs; molecular modelling of estrogen receptor antagonists; pharmacologically active heterocycles
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Special Issue Information

Dear Colleagues,

As a multidisciplinary research subject, medicinal chemistry involves topics within biology, medicine, chemistry, and other therapeutic fields, ranging from anticancer, antiviral, and antimicrobial agents to molecules that are potentially active in endocrine, inflammation, neurological, cardiovascular, and autoimmune diseases. The numerous advances in this field, ranging from theoretical design and in silico screening to synthetic and analytical methodologies, lead discovery and optimization methods, structure-based drug design, and bioinformatics, are contributing to more efficient and sophisticated strategies to access therapeutic potential.

This Special Issue aims to discuss new knowledge and cutting-edge developments related to all aspects of medicinal chemistry, which will contribute to our understanding of the relationship between molecular structure and biological activity or the mode of action of drugs. Authors are invited to contribute original research papers or reviews that report on the discovery, design, synthesis, identification, and metabolism of biologically active compounds and drug candidates, together with structure–activity relationships and studies that describe investigations of the mechanism of action at the molecular level of these novel biologically active compounds.

Prof. Dr. Mary J. Meegan
Guest Editor

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Keywords

  • drug discovery
  • novel drug targets
  • drug discovery
  • drug design and development
  • synthetic methods for drugs
  • analytical methodologies
  • in silico screening
  • structure and ligand-based drug design
  • structure–activity relationships (SAR)
  • drug metabolism

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Published Papers (1 paper)

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Research

10 pages, 1463 KiB  
Article
Exploring Plasma Proteome Thermal Stability in Peripheral Arterial Disease: Biophysical Findings Under Cilostazol Therapy
by Dorottya Szabó, László Benkő and Dénes Lőrinczy
Pharmaceuticals 2025, 18(6), 886; https://doi.org/10.3390/ph18060886 - 13 Jun 2025
Viewed by 215
Abstract
Introduction: Intermittent claudication, an early symptom of peripheral artery disease, can be treated by cilostazol to alleviate symptoms and improve walking distance. Our previous investigation focused on cilostazol-induced alterations in the thermodynamic properties of plasma, utilizing differential scanning calorimetry (DSC) as a [...] Read more.
Introduction: Intermittent claudication, an early symptom of peripheral artery disease, can be treated by cilostazol to alleviate symptoms and improve walking distance. Our previous investigation focused on cilostazol-induced alterations in the thermodynamic properties of plasma, utilizing differential scanning calorimetry (DSC) as a potential monitoring tool. The current proof-of-concept study aimed to enhance the interpretation of DSC data through deconvolution techniques, specifically examining protein transitions within the plasma proteome during cilostazol therapy. Results: Notable differences in thermal unfolding profiles were found between cilostazol-treated patients and healthy controls. The fibrinogen-associated transition exhibited a downward shift in denaturation temperature and decreased enthalpy by the third month. The albumin-related transition shifted to higher temperatures, accompanied by lower enthalpy. Transitions associated with globulins showed changes in thermal stability, while the transferrin-related peak demonstrated increased structural rigidity in treated patients compared to controls. Discussion: These observations suggest that cilostazol induces systemic changes in the thermodynamic behavior of plasma proteins. DSC, when combined with deconvolution methods, presents a promising approach for detecting subtle, therapy-related alterations in plasma protein stability. Materials and methods: Ten patients (median age: 58.6 years) received 100 milligrams of cilostazol twice daily. Blood samples were collected at the baseline and after 2 weeks, 1 month, 2 months, and 3 months of therapy. Walking distances were also assessed. The DSC curves were retrieved from the thermal analysis investigated by deconvolution mathematical methods. Conclusions: Although the exact functional consequences remain unclear, the observed biophysical changes may reflect broader molecular adaptations involving protein–protein interactions, post-translational modifications, or acute phase response elements. Full article
(This article belongs to the Special Issue Advances in Medicinal Chemistry: 2nd Edition)
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