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25th Anniversary of IJMS: Updates and Advances in Molecular Pharmacology

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Pharmacology".

Deadline for manuscript submissions: 31 December 2025 | Viewed by 900

Special Issue Editor

Prof. Dr. Roberto Scatena

E-Mail Website
Guest Editor
Dipartimento di Medicina di Laboratorio, Madre Giuseppina Vannini Hospital, Via di Acqua Bullicante 4, 00177 Rome, Italy
Interests: cancer; biomarkers; mitochondria; targeted drugs; clinical chemistry; laboratory medicine
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The field of molecular pharmacology is rapidly transforming, driven by innovative technologies that reshape our understanding of drug-target interactions and push towards novel therapeutic approaches. We are entering a new era of pharmacology, moving beyond traditional small-molecule inhibitors/activators. New techniques (i.e., cryo-electron microscopy -Cryo-EM-) permit atomic-level visualization of drug binding to biological components as proteins, ameliorating drug design. Moreover, the introduction of 'omics' technologies—genomics, proteomics, and transcriptomics—is advancing pharmacogenomics, allowing precise predictions of drug responses and toxicities for individuals (i.e., personelized pharmacology).

Most importantly, the therapeutic landscape is evolving with new drug modalities derived from genetic approaches. RNA-based therapeutics, including siRNA, ASO, and mRNA, allow for direct modulation of gene expression in previously “undruggable” pathways. Breakthroughs in targeted protein degradation through PROTACs and “molecular glues” enable the elimination of toxic proteins. At last but not least, the integration of these biological advances with artificial intelligence  will accelerate the drug discovery pipeline. These advancements represent a fundamental steps towards a more specific, personalized, and effective treatments for various human diseases.

Prof. Dr. Roberto Scatena
Guest Editor

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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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • precision medicine
  • pharmacogenomics
  • targeted protein degradation (TPD)
  • molecular pharmacology
  • RNA Therapeutics
  • novel drug modalities
  • proteomics
  • transcriptomics
  • personalized drug therapy

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Published Papers (1 paper)

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Research

18 pages, 1926 KB  
Article
Evaluation of 2,7-Naphthyridines as Targeted Anti-Staphylococcal Candidates with Microbiota-Sparing Properties
by Anna Wójcicka, Maciej Spiegel, Bartłomiej Dudek, Malwina Brożyna, Adam Junka and Marcin Mączyński
Int. J. Mol. Sci. 2025, 26(21), 10442; https://doi.org/10.3390/ijms262110442 - 27 Oct 2025
Viewed by 158
Abstract
The rising resistance of bacterial and fungal strains, particularly in biofilm form, is diminishing the efficacy of available therapies and poses a major threat to human health. This highlights the need for new antimicrobial agents. A review of biological studies has shown that [...] Read more.
The rising resistance of bacterial and fungal strains, particularly in biofilm form, is diminishing the efficacy of available therapies and poses a major threat to human health. This highlights the need for new antimicrobial agents. A review of biological studies has shown that 2,7-naphthyridine derivatives exhibit a wide spectrum of pharmacological properties, including antimicrobial activity, which has contributed to the development of new compounds containing this scaffold. In this work, the obtained compounds were tested to assess their ability to eradicate biofilm formed by selected reference strains of opportunistic pathogens: Staphylococcus aureus, Pseudomonas aeruginosa and Candida albicans as well as towards normal microbiota representative, referred to as the Lactobacillus crispatus. The tested 2,7-naphthyridine derivatives showed selective antimicrobial activity, exclusively against S. aureus. 10j demonstrated the highest, among tested compounds, activity on this pathogen (MIC = 8 mg/L), while compound 10f exhibited ~100-fold stronger activity (MIC = 31 mg/L) than the majority of the library compounds. The in vitro assessment on fibroblast cell lines demonstrated low cytotoxicity of both compounds 10f and 10j, which was subsequently confirmed in vivo using the Galleria mellonella larval model, where no signs of systemic toxicity were observed during the 5-day observation period. Due to the structural similarity of the compounds 10f and 10j to typical gyrase/topoisomerase IV inhibitors, molecular dynamics simulations were performed on a ternary complex containing protein, DNAds, and a 1,5-naphthyridine inhibitor (PDB ID: 6Z1A). Molecular dynamics of the gyrase–DNA ternary complex supported stable binding of both hydrazone derivatives, with 10j showing slightly more favorable MM/GBSA energetics driven by electrostatics and halogen bonding, consistent with its ~4-fold lower MIC versus 10f. Taken together, our data highlight compound 10j as a promising microbiota-sparing antibacterial candidate, particularly suitable for selective interventions against S. aureus, for instance in vaginal infections, where targeted eradication of the pathogen without disturbing protective commensals is highly desirable. Full article
(This article belongs to the Special Issue 25th Anniversary of IJMS: Updates and Advances in Molecular Pharmacology)
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