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Assessing the bioactive potential of Lysimachia atropurpurea extracts using HPLC-MS/MS, in vitro and in silico analysis

2025-12-09Artigo científico Acesso restrito
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datacite.subject.sdg03:Saúde de Qualidade
datacite.subject.sdg09:Indústria, Inovação e Infraestruturas
datacite.subject.sdg15:Proteger a Vida Terrestre
dc.contributor.authorAk, Gunes
dc.contributor.authorNilofar, Nilofar
dc.contributor.authorSaka, Enver
dc.contributor.authorUba, Abdullahi Ibrahim
dc.contributor.authorRodrigues, Maria João
dc.contributor.authorFernandes, Eliana
dc.contributor.authorCustódio, Luísa
dc.contributor.authorYildiztugay, Evren
dc.contributor.authorYapıcı, Ismail
dc.contributor.authorGulcin, Ilhami
dc.contributor.authorMahmoud, Orchid A.
dc.contributor.authorEldahshan, Omayma A.
dc.contributor.authorSingab, Abdel Nasser B.
dc.contributor.authorWu, Yimao
dc.contributor.authorLi, Meng-Yao
dc.contributor.authorZengin, Gokhan
dc.date.accessioned2026-05-29T09:11:13Z
dc.date.available2026-05-29T09:11:13Z
dc.date.issued2025-12-09
dc.description.abstractThe genus Lysimachia is of great interest to the scientific community, especially in terms of its potential anticancer effects. In this study, the aerial parts and roots of Lysimachia atropurpurea L. were collected and extracted by maceration using solvents of ethyl acetate (EA), ethanol (EtOH), ethanol/water, and water. The biological activities of the extracts, including antioxidant, enzyme inhibition, and anticancer effects, were evaluated using various assays. High-performance liquid chromatographytandem mass spectrometry (HPLC-MS/MS) analysis revealed a total of 32 compounds in the extracts of L. atropurpurea. The roots showed significantly the highest antioxidant activity compared to the aerial part. In case of cholinesterase inhibition, the aerial parts of the EtOH extract showed the highest acetylcholinesterase (AChE) inhibition activity, measuring 3.05 mg galatamine equivalent (GALAE)/g. The EtOH and EtOH/water extracts exhibited the strongest cytotoxicity, reducing the viability of human neuroblastoma (SH-SY5Y) and human hepatocarcinoma (HepG2) cancer cells to as low as 4.86–6.33 %. The results of network pharmacology and molecular docking suggest that the extract of L. atropurpurea exerts inhibitory effects on hepatocellular carcinoma through the modulation of SRC, PI3K, and HSP90, while it demonstrates potential inhibitory activity against neuroblastoma by targeting SRC, PI3K, HSP90, ESR1, AKT, and other related targets. In conclusion, the L. atropurpurea extracts showed potential antioxidant, enzyme inhibition, and selective anticancer effects, which support their potential for further research as therapeutic agents in drug development.eng
dc.identifier.doi10.1515/znc-2025-0220
dc.identifier.eissn1865-7125
dc.identifier.issn0939-5075
dc.identifier.urihttp://hdl.handle.net/10400.1/29053
dc.language.isoeng
dc.peerreviewedyes
dc.publisherWalter de Gruyter GmbH
dc.relation.ispartofZeitschrift für Naturforschung C
dc.rights.uriN/A
dc.subjectLysimachia
dc.subjectPhenolics
dc.subjectRadical scavenging
dc.subjectSkin disorders
dc.subjectCytotoxicity
dc.subjectFunctional agents
dc.titleAssessing the bioactive potential of Lysimachia atropurpurea extracts using HPLC-MS/MS, in vitro and in silico analysiseng
dc.typejournal article
dspace.entity.typePublication
oaire.citation.titleZeitschrift fur Naturforschung - Section C Journal of Biosciences
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85
person.familyNameRodrigues
person.familyNameFernandes
person.familyNameCustódio
person.givenNameMaria João
person.givenNameEliana
person.givenNameLuísa
person.identifierR-004-VNG
person.identifier.ciencia-id2514-0E17-1D8D
person.identifier.ciencia-id791B-C560-AEA2
person.identifier.orcid0000-0001-8732-710X
person.identifier.orcid0000-0003-4083-8353
person.identifier.orcid0000-0003-4338-7703
person.identifier.ridM-6101-2013
person.identifier.scopus-author-id56031608100
person.identifier.scopus-author-id15831018900
relation.isAuthorOfPublication12c32925-de9e-4289-bdd5-1d655d7a278c
relation.isAuthorOfPublication43a963c0-f7ed-4fbb-8fc5-753251ac5a7d
relation.isAuthorOfPublicationf9cfed0f-6b67-413e-988c-ac7397183471
relation.isAuthorOfPublication.latestForDiscovery12c32925-de9e-4289-bdd5-1d655d7a278c

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