Logo do repositório
 
Publicação

Comprehensive chemical and biological assessment of Orobanche racemosa extracts using chromatographic, in vitro, in silico, and cell‐based techniques

2026-08-17Artigo científico Acesso aberto
Ver registo simples
datacite.subject.sdg03:Saúde de Qualidade
datacite.subject.sdg09:Indústria, Inovação e Infraestruturas
datacite.subject.sdg12:Produção e Consumo Sustentáveis
dc.contributor.authorNilofar, Nilofar
dc.contributor.authorSaka, Enver
dc.contributor.authorCetiz, Mehmet Veysi
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.authorElhawary, Esraa A.
dc.contributor.authorEldahshan, Omayma A.
dc.contributor.authorSingab, Abdel Nasser B.
dc.contributor.authorCespedes‐Acuna, Carlos L.
dc.contributor.authorZengin, Gokhan
dc.date.accessioned2026-08-26T10:15:24Z
dc.date.available2026-08-26T10:15:24Z
dc.date.issued2026-08-17
dc.description.abstractThe growing interest in natural product research as a safer and sustainable alternative to synthetic drugs has triggered this study,which evaluates the chemical profile and biological activity of Orobanche racemosa extracts. In the current study, extraction wasperformed from O. racemosa using the maceration method with several extraction solvents. The extracts were examined for theirantioxidant and enzyme-inhibitory activities and their effects on cell viability. In high-performance liquid chromatography–MS/MS analysis, a total of 31 compounds was detected across all studied extracts. The EtOH and EtOH/water extracts consistentlyexhibited the highest antioxidant capacities in almost all tested assays. Similarly, EtOH and EtOH/water extracts showed vigorousanti-AChE activity, measuring 2.88 and 2.35 mg/GALAE, respectively. In the cell viability assay, both EA and EtOH extracts ofO. racemosa demonstrated potent cytotoxicity, significantly reducing viability in normal (HEK293) and cancer cell lines (HepG2,SH-SY5Y), indicating high toxicity without selectivity. Molecular docking screened 384 theoretical compound–target combina-tions and retained 251 unique complexes with docking scores of −7.0 kcal/mol or lower after duplicated entries were removed. Subsequent single-trajectory molecular dynamics analysis of seven representative high-scoring complexes generated hypotheses regarding structural persistence under the simulated conditions; however, these computational predictions require experimental validationeng
dc.identifier.doi10.1002/open.70283
dc.identifier.eissn2191-1363
dc.identifier.issn2191-1363
dc.identifier.urihttp://hdl.handle.net/10400.1/29330
dc.language.isoeng
dc.peerreviewedyes
dc.publisherWiley
dc.relation.ispartofChemistryOpen
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.titleComprehensive chemical and biological assessment of Orobanche racemosa extracts using chromatographic, in vitro, in silico, and cell‐based techniqueseng
dc.typejournal article
dspace.entity.typePublication
oaire.citation.issue9
oaire.citation.startPagee70283
oaire.citation.titleChemistryOpen
oaire.citation.volume15
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

Ficheiros

Principais
A mostrar 1 - 1 de 1
Miniatura indisponível
Nome:
ChemistryOpen - 2026 - Nilofar - Comprehensive Chemical and Biological Assessment of Orobanche racemosa Extracts Using.pdf
Tamanho:
3.33 MB
Formato:
Adobe Portable Document Format
Ver/Abrir
Licença
A mostrar 1 - 1 de 1
Miniatura indisponível
Nome:
license.txt
Tamanho:
3.46 KB
Formato:
Item-specific license agreed upon to submission
Descrição:
Ver/Abrir

Coleções

CCM2-Artigos (em revistas ou actas indexadas)
FCT2-Artigos (em revistas ou actas indexadas)