Bibliographic Details
| Title: |
Toxicity of the New Psychoactive Substance (NPS) Clephedrone (4-Chloromethcathinone, 4-CMC): Prediction of Toxicity Using In Silico Methods for Clinical and Forensic Purposes. |
| Authors: |
Jurowski, Kamil1,2 (AUTHOR) lukasz.niznik@iem.gov.pl, Niżnik, Łukasz2 (AUTHOR) |
| Source: |
International Journal of Molecular Sciences. Jun2024, Vol. 25 Issue 11, p5867. 19p. |
| Subject Terms: |
*CLINICAL toxicology, *GENETIC toxicology, *FORENSIC toxicology, *CARDIOTOXICITY, *ESTROGEN receptors, *DNA damage |
| Abstract: |
This study reports the first application of in silico methods to assess the toxicity of 4-chloromethcathinone (4-CMC), a novel psychoactive substance (NPS). Employing advanced toxicology in silico tools, it was possible to predict crucial aspects of the toxicological profile of 4-CMC, including acute toxicity (LD50), genotoxicity, cardiotoxicity, and its potential for endocrine disruption. The obtained results indicate significant acute toxicity with species-specific variability, moderate genotoxic potential suggesting the risk of DNA damage, and a notable cardiotoxicity risk associated with hERG channel inhibition. Endocrine disruption assessment revealed a low probability of 4-CMC interacting with estrogen receptor alpha (ER-α), suggesting minimal estrogenic activity. These insights, derived from in silico studies, are critical in advancing the understanding of 4-CMC properties in forensic and clinical toxicology. These initial toxicological findings provide a foundation for future research and aid in the formulation of risk assessment and management strategies in the context of the use and abuse of NPSs. [ABSTRACT FROM AUTHOR] |
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