Toxicity of the New Psychoactive Substance (NPS) Clephedrone (4-Chloromethcathinone, 4-CMC): Prediction of Toxicity Using In Silico Methods for Clinical and Forensic Purposes.
| 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] |
| Copyright of International Journal of Molecular Sciences is the property of MDPI and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Academic Search Complete |
| Full text is not displayed to guests. | Login for full access. |
| FullText | Links: – Type: pdflink Text: Availability: 1 CustomLinks: – Url: https://resolver.ebsco.com/c/xy5jbn/result?sid=EBSCO:a9h&genre=article&issn=16616596&ISBN=&volume=25&issue=11&date=20240601&spage=5867&pages=5867-5885&title=International Journal of Molecular Sciences&atitle=Toxicity%20of%20the%20New%20Psychoactive%20Substance%20%28NPS%29%20Clephedrone%20%284-Chloromethcathinone%2C%204-CMC%29%3A%20Prediction%20of%20Toxicity%20Using%20In%20Silico%20Methods%20for%20Clinical%20and%20Forensic%20Purposes.&aulast=Jurowski%2C%20Kamil&id=DOI:10.3390/ijms25115867 Name: Full Text Finder (for New FTF UI) (s8985755) Category: fullText Text: Find It @ SCU Libraries MouseOverText: Find It @ SCU Libraries |
|---|---|
| Header | DbId: a9h DbLabel: Academic Search Complete An: 177850592 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Toxicity of the New Psychoactive Substance (NPS) Clephedrone (4-Chloromethcathinone, 4-CMC): Prediction of Toxicity Using In Silico Methods for Clinical and Forensic Purposes. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Jurowski%2C+Kamil%22">Jurowski, Kamil</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> lukasz.niznik@iem.gov.pl</i><br /><searchLink fieldCode="AR" term="%22Niżnik%2C+Łukasz%22">Niżnik, Łukasz</searchLink><relatesTo>2</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22International+Journal+of+Molecular+Sciences%22">International Journal of Molecular Sciences</searchLink>. Jun2024, Vol. 25 Issue 11, p5867. 19p. – Name: Subject Label: Subject Terms Group: Su Data: *<searchLink fieldCode="DE" term="%22CLINICAL+toxicology%22">CLINICAL toxicology</searchLink><br />*<searchLink fieldCode="DE" term="%22GENETIC+toxicology%22">GENETIC toxicology</searchLink><br />*<searchLink fieldCode="DE" term="%22FORENSIC+toxicology%22">FORENSIC toxicology</searchLink><br />*<searchLink fieldCode="DE" term="%22CARDIOTOXICITY%22">CARDIOTOXICITY</searchLink><br />*<searchLink fieldCode="DE" term="%22ESTROGEN+receptors%22">ESTROGEN receptors</searchLink><br />*<searchLink fieldCode="DE" term="%22DNA+damage%22">DNA damage</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: 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] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of International Journal of Molecular Sciences is the property of MDPI and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
| PLink | https://login.libproxy.scu.edu/login?url=https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&scope=site&db=a9h&AN=177850592 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/ijms25115867 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 19 StartPage: 5867 Subjects: – SubjectFull: CLINICAL toxicology Type: general – SubjectFull: GENETIC toxicology Type: general – SubjectFull: FORENSIC toxicology Type: general – SubjectFull: CARDIOTOXICITY Type: general – SubjectFull: ESTROGEN receptors Type: general – SubjectFull: DNA damage Type: general Titles: – TitleFull: Toxicity of the New Psychoactive Substance (NPS) Clephedrone (4-Chloromethcathinone, 4-CMC): Prediction of Toxicity Using In Silico Methods for Clinical and Forensic Purposes. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Jurowski, Kamil – PersonEntity: Name: NameFull: Niżnik, Łukasz IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 06 Text: Jun2024 Type: published Y: 2024 Identifiers: – Type: issn-print Value: 16616596 Numbering: – Type: volume Value: 25 – Type: issue Value: 11 Titles: – TitleFull: International Journal of Molecular Sciences Type: main |
| ResultId | 1 |