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Metabolic stability and metabolite profiling of emerging synthetic cathinones

2023Journal article Open access
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dc.contributor.authorLopes, Rita P.
dc.contributor.authorFerro, Raquel A.
dc.contributor.authorMilhazes, Margarida
dc.contributor.authorFigueira, Margarida
dc.contributor.authorCaldeira, Maria João
dc.contributor.authorAntunes, Alexandra M.M.
dc.contributor.authorGaspar, Helena
dc.date.accessioned2023-09-08T09:09:26Z
dc.date.available2023-09-08T09:09:26Z
dc.date.issued2023
dc.descriptionWe thank Fundação para a Ciência e a Tecnologia (FCT), Portugal, for financial support through projects UIDB/QUI/00100/2020 and UIDP/00100/2020 (to CQE), LA/P/0056/2020 (to IMS), UIDB/04046/2020 and UIDP/04046/2020 (to BioISIBiosystems & Integrative Sciences Institute), UIDB/04292/2020 and UIDP/04292/2020 (to MARE-Marine and Environmental Sciences Centre). FCT is also acknowledged for the PhD grant 2022.04738. PTDC to RPL. Joint funding from FCT and the COMPETE Program through grant RNEMLISBOA-01-0145-FEDER-022125 funding are also gratefully acknowledged.pt_PT
dc.description.abstractSynthetic cathinones constitute the second largest groups of new psychoactive substances (NPS), which are especially popular among adolescents and young adults. Due to their potential toxicity, the recreational use of these NPS constitute a serious worldwide public health problem. However, their fast appearance in the market renders the continuous updating of NPS information highly challenging for forensic authorities. The unavailability of pharmacokinetic data for emerging NPS is critical for forensic and clinical verifications. With the ultimate goal of having a proactive approach towards the NPS issue, high resolution mass spectrometry was used in the current work to assess preliminary pharmacokinetic data for 8 selected cathinones: 4 reported substances (4-CIC, 3-CMC, 4-CMC and 4-MEAP) and 4 previously unreported ones (3-CIC, 4-MDMB, 4-MNEB and 4-MDMP) for which the emergence on the NSP market is expected to be eminent, were also included in this study. Based on the calculation of pharmacokinetic parameters, half-life and intrinsic clearance, 4-CMC and 4-MDMB are low and high clearance compounds, respectively, and all the remaining cathinones included in this study are intermediate clearance compounds. This fact anticipates the key role of metabolites as suitable biomarkers to extend detection windows beyond those provided by the parent cathinones. Reduction of the keto group and hydroxylation on the alkyl chains were the common metabolic pathways identified for all cathinones. However, the relative importance of these metabolic transformations is dependent on the cathinone substituents. The glucuronic acid conjugation to metabolites stemming for keto group reduction constituted the sole Phase II transformation identified. To our knowledge, this study constitutes the first metabolite profiling of the already reported synthetic cathinones 4-CIC, 3-CMC and 4-CMC. Noteworthy is the fact that 3-CMC accounts for almost a quarter of the quantity of powders seized during 2020. The analytical methods developed, and the metabolites characterized, are now available to be included in routine screening methods to attest the consumption of the 8 cathinones studied.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationLopes RP, Ferro RA, Milhazes M, Figueira M, Caldeira MJ, Antunes AMM and Gaspar H (2023), Metabolic stability and metabolite profiling of emerging synthetic cathinones. Front. Pharmacol. 14:1145140. doi: 10.3389/fphar.2023.1145140pt_PT
dc.identifier.doi10.3389/fphar.2023.1145140pt_PT
dc.identifier.issn1663-9812
dc.identifier.urihttp://hdl.handle.net/10400.8/8770
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherFrontierspt_PT
dc.relationCentro de Química Estrutural
dc.relationBiosystems and Integrative Sciences Institute
dc.relationBiosystems and Integrative Sciences Institute
dc.relationMarine and Environmental Sciences Centre
dc.relationMarine and Environmental Sciences Centre
dc.relation.publisherversionhttps://www.frontiersin.org/articles/10.3389/fphar.2023.1145140/fullpt_PT
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subject4-CMCpt_PT
dc.subject3-CMCpt_PT
dc.subject4-CICpt_PT
dc.subject4-MEAPpt_PT
dc.subject3-CICpt_PT
dc.subject4-MDMBpt_PT
dc.subject4-MNEBpt_PT
dc.subject4-MDMPpt_PT
dc.titleMetabolic stability and metabolite profiling of emerging synthetic cathinonespt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleCentro de Química Estrutural
oaire.awardTitleBiosystems and Integrative Sciences Institute
oaire.awardTitleBiosystems and Integrative Sciences Institute
oaire.awardTitleMarine and Environmental Sciences Centre
oaire.awardTitleMarine and Environmental Sciences Centre
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00100%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04046%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04046%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F04292%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F04292%2F2020/PT
oaire.citation.titleFrontiers in Pharmacologypt_PT
oaire.citation.volume14pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
person.familyNameGuerreiro Galla Gaspar
person.givenNameHelena Margarida
person.identifierE-6798-2012
person.identifier.ciencia-id761C-044C-995B
person.identifier.orcid0000-0002-1613-7023
person.identifier.scopus-author-id7003891380
project.funder.identifierhttp://doi.org/10.13039/501100001871
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project.funder.nameFundação para a Ciência e a Tecnologia
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project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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