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Phytochemical characterization of euphorbia peplis extracts and their antioxidant, enzyme inhibitory, and cytotoxic activities: an integrated experimental and in silico study

2026-08Artigo científico Acesso aberto
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datacite.subject.sdg03:Saúde de Qualidade
datacite.subject.sdg09:Indústria, Inovação e Infraestruturas
datacite.subject.sdg12:Produção e Consumo Sustentáveis
dc.contributor.authorYagi, Sakina
dc.contributor.authorElhawary, Esraa A.
dc.contributor.authorEldahshna, Omayma A.
dc.contributor.authorSingab, Abdel Nasser B.
dc.contributor.authorCetiz, Mehmet Veysi
dc.contributor.authorUba, Abdullahi Ibrahim
dc.contributor.authorYapıcı, Ismail
dc.contributor.authorGulcin, Ilhami
dc.contributor.authorFernandes, Eliana
dc.contributor.authorCustódio, Luísa
dc.contributor.authorRodrigues, Maria João
dc.contributor.authorYildiztugay, Evren
dc.contributor.authorZengin, Gokhan
dc.date.accessioned2026-09-25T12:13:47Z
dc.date.available2026-09-25T12:13:47Z
dc.date.issued2026-08
dc.description.abstractEuphorbia members (Euphorbiaceae) are valuable sources of lead compounds for potential drug discovery. This study was conducted to evaluate, for the first time, the phytoconstituents, antioxidant capacity, enzyme inhibitory, and cytotoxic properties of E. peplis. Extracts were prepared from the aerial parts using ethyl acetate (EtOAc), ethanol (EtOH), 70% EtOH, and water. Results showed that the 70% EtOH and EtOH extracts contained the highest levels of total phenolics (68.12mg GAE/g) and flavonoids (45.49mg RE/g). UPLC-ESI-MSn analysis revealed a variety of phytochemicals, including flavonoids, cinnamic acid derivatives, tannins, triterpenoids, and saponins, with 24 metabolites tentatively identified. PCA grouped these metabolites into three clusters, and their distribution was visualized with a heatmap. Polar extracts demonstrated strong antioxidant activity, with the 70% EtOH extract showing the highest values in most assays (DPPH=385.50mg TE/g; ABTS=466.31mg TE/g; CUPRAC=439.95mg TE/g; FRAP=305.07mg TE/g; PBD=2.45mmol TE/g). The EtOH and EtOAc extracts exhibited the strongest anti-acetylcholinesterase (2.83mg GALAE/mg) and anti-butyrylcholinesterase (2.18mg GALAE/mg) activities, respectively. Both the 70% EtOH and EtOH extracts showed the best anti-tyrosinase effects (54.40 and 53.39mg KAE/g; p≥0.05). The EtOAc extract was more toxic toward SHSY5Y cells, with a viability of 4.31%, compared to 8.18% in normal KEK293 cells. Network pharmacology identified 11 common targets for E. peplis metabolites, with AKT1, EGFR, GSK3B, ESR1/ESR2, and CCND1 serving as key hubs. Pathway enrichment analysis highlighted PI3K-Akt, EGFR, and hormone-related pathways. Docking and molecular dynamics simulations confirmed stable multi-target binding. These findings suggest that E. peplis could be a promising source of antioxidants and compounds with potential anticancer and enzyme-inhibitory activities relevant to human diseases.eng
dc.identifier.doi10.1002/fsn3.72244
dc.identifier.eissn2048-7177
dc.identifier.issn2048-7177
dc.identifier.urihttp://hdl.handle.net/10400.1/29519
dc.language.isoeng
dc.peerreviewedyes
dc.publisherWiley
dc.relation.ispartofFood Science & Nutrition
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectAntioxidant
dc.subjectCytotoxicity
dc.subjectEnzyme inhibition
dc.subjectEuphorbia peplis
dc.subjectMultivariate data analysis
dc.subjectPhytoconstituents
dc.titlePhytochemical characterization of euphorbia peplis extracts and their antioxidant, enzyme inhibitory, and cytotoxic activities: an integrated experimental and in silico studyeng
dc.typejournal article
dspace.entity.typePublication
oaire.citation.issue8
oaire.citation.startPagee72244
oaire.citation.titleFood Science & Nutrition
oaire.citation.volume14
oaire.versionhttp://purl.org/coar/version/c_970fb48d4fbd8a85
person.familyNameFernandes
person.familyNameCustódio
person.familyNameRodrigues
person.givenNameEliana
person.givenNameLuísa
person.givenNameMaria João
person.identifierR-004-VNG
person.identifier.ciencia-id791B-C560-AEA2
person.identifier.ciencia-id2514-0E17-1D8D
person.identifier.orcid0000-0003-4083-8353
person.identifier.orcid0000-0003-4338-7703
person.identifier.orcid0000-0001-8732-710X
person.identifier.ridM-6101-2013
person.identifier.scopus-author-id15831018900
person.identifier.scopus-author-id56031608100
relation.isAuthorOfPublication43a963c0-f7ed-4fbb-8fc5-753251ac5a7d
relation.isAuthorOfPublicationf9cfed0f-6b67-413e-988c-ac7397183471
relation.isAuthorOfPublication12c32925-de9e-4289-bdd5-1d655d7a278c
relation.isAuthorOfPublication.latestForDiscovery43a963c0-f7ed-4fbb-8fc5-753251ac5a7d

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