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Beyond the Known: Molecular Insights into the World of New Psychoactive Compounds

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

Deadline for manuscript submissions: 30 August 2025 | Viewed by 673

Special Issue Editors


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Guest Editor
BioISI—Biosystems & Integrative Sciences Institute, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal
Interests: synthesis; analytical methodologies; toxicology; structure–activity relationships; metabolism; biomarkers; elucidation of toxicity mechanisms; drug checking
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Departamento de Engenharia Química, Instituto Superior de Engenharia de Lisboa, 1959-007 Lisboa, Portugal
Interests: biochemistry; cell lines studies; toxicology; biological assays; metabolic effects; biomarkers; toxicity mechanisms; analytical methodologies
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

We are pleased to invite you to submit contributions to the Special Issue“Beyond the Known: Molecular Insights into the World of New Psychoactive Compounds” in the International Journal of Molecular Sciences. The challenges posed by the rapid spread of new psychoactive substances (NPS) in recreational drug markets have created significant concerns for both public health and regulatory agencies worldwide. The speed at which new synthetic drugs emerge and the variability in their composition lead to unpredictable effects on consumers’ health and pose difficulties in their detection by forensic and clinical laboratories. Given the increasing threat of NPS, there is an urgent need for a deeper understanding of their molecular properties, pharmacodynamics, pharmacokinetics, toxicology, and their potential therapeutic or adverse effects.

This Special Issue aims to bring together cutting-edge research on the molecular aspects of NPS, from their chemical synthesis and analytical detection to their biological interactions and health implications. By consolidating recent advances in this field, we seek to provide a comprehensive perspective on the impact of NPS on human health and contribute to the development of innovative approaches for their detection, regulation, and risk reduction.

This Special Issue welcomes original articles, short communications, and review articles on NPS. The research areas of these contributions may include (but are not limited to) the following:

  • The synthesis and structural characterization of emerging NPS;
  • The pharmacokinetics and pharmacodynamics of NPS;
  • Detection and analytical methodologies for identifying NPS;
  • Drug checking of NPS;
  • NPS identification in forensic and clinical contexts;
  • Biomarkers for NPS detection and monitoring;
  • Molecular and cellular mechanisms underlying NPS toxicity;
  • Toxicological profiles and health risks associated with NPS;
  • Biological effects of NPS;
  • Potential therapeutic applications of NPS.

We look forward to receiving your contributions.

Dr. Helena Gaspar
Dr. Rita Pacheco
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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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

  • new psychoactive substances
  • synthetic drugs
  • metabolism
  • toxicology
  • drug checking
  • designer drugs

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Published Papers (1 paper)

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Research

23 pages, 4420 KiB  
Article
Synthesis, Characterization, and Biological Effects of Chloro-Cathinones: Toxicity and Potential Neurological Impact
by Ana Patrícia Gomes, Raquel Ferro, Daniela Pinto, Joana Silva, Celso Alves, Rita Pacheco and Helena Gaspar
Int. J. Mol. Sci. 2025, 26(8), 3540; https://doi.org/10.3390/ijms26083540 - 9 Apr 2025
Viewed by 603
Abstract
Cathinones, a class of synthetic new psychoactive substances (NPSs), continue to emerge and pose public threats. Government control efforts often lead to the emergence of new isomers, which have adverse repercussions on NPSs identification and risk prediction. This work reports on the synthesis [...] Read more.
Cathinones, a class of synthetic new psychoactive substances (NPSs), continue to emerge and pose public threats. Government control efforts often lead to the emergence of new isomers, which have adverse repercussions on NPSs identification and risk prediction. This work reports on the synthesis and structural characterization of twenty chloro-cathinones, including different isomers, to create analytical data to facilitate their identification in forensic and clinical contexts. Additionally, the potential of these cathinones to cause neuronal damage was evaluated. In vitro cytotoxicity was assessed using a differentiated human neuroblastoma cell line (SH-SY5Y) as a dopaminergic neuronal model. The tested cathinones showed LC50 values from 0.6 to 2.5 mM, with 4-CBC being the most cytotoxic. The most toxic cathinones increase reactive oxygen species levels and/or cause mitochondrial membrane potential depolarization. Furthermore, this study explored, for the first time, the effect of cathinones on the cholinergic system through acetylcholinesterase (AChE) inhibition. All tested cathinones inhibited AChE with IC50 values between 0.1 and 2 mM. Molecular docking analysis revealed that the most inhibitory cathinones interacted with the CASs and PASs in AChE’s active gorge. These findings provide valuable insights into the effects of cathinones, highlighting potential health risks and structural features that may influence their toxicity towards the cholinergic system and neuronal damage. Full article
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