Bio-activity guided isolation of 1,5-dicaffeoyl quinic acid from Cirsium species and investigation of their therapeutic potency on melanoma through in vitro and in silico approaches

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dc.contributor.authorSener, Sila Ozlem
dc.contributor.authorKanbolat, Seyda
dc.contributor.authorBadem, Merve
dc.contributor.authorOzgen, Ufuk
dc.contributor.authorAliyazicioglu, Rezzan
dc.contributor.authorCeylan, Esma
dc.contributor.authorGoren, Ahmet Ceyhan
dc.date.accessioned2026-04-04T13:37:26Z
dc.date.available2026-04-04T13:37:26Z
dc.date.issued2025
dc.departmentİnönü Üniversitesi
dc.description.abstractMelanoma exhibits a high fatality rate, and its characteristic of rapid proliferation is progressively increasing. Collagenase inhibitors are pivotal in influencing the invasion of cancer cells in melanoma. The objective of this research is to explore the therapeutic impact of specific Cirsium species on melanoma. A bioactivity-guided fractionation was carried out to identify the effective compound using collagenase inhibitory efficacy. The most potent compound underwent additional examination through in silico methods, and the presence of this compound, along with several phenolic compounds, in the most effective Cirsium species was identified using LC-MS/MS analysis. The cytotoxic effect on SK-Mel cells was assessed using the in vitro MTT technique. The bioactivity-guided fractionation study led to the identification of CTR-E1 from Cirsium trachylepis's root (CTR), and its structure was determined as 1,5-dicaffeoylquinic acid. In silico analysis revealed that 1,5-dicaffeoylquinic acid exhibited significant potency with a maximum binding affinity of - 8.19 kcal/mol, as well as hydrogen bonds and hydrophobic interactions. 1,5-dicaffeoylquinic acid, fumaric acid, pyrogallol, and epicatechin were detected and quantified in CTR by LC-MS/MS analysis. CTR was found to be effective on SK-Mel cells. Further clinical and toxicological studies, as well as additional in vitro and in vivo studies, are necessary to support the therapeutic efficacy of CTR and 1,5-dicaffeoylquinic acid.
dc.description.sponsorshipTurkish Scientific and Technical Research Council [116Z475, 215Z026]
dc.description.sponsorshipWe would like to acknowledge the Turkish Scientific and Technical Research Council for supporting the study (Project No. 116Z475, 215Z026). The study's authors, S & imath;la OEzlem & Scedil;ENER and & Scedil;eyda KANBOLAT, also contributed additional financial support.
dc.identifier.doi10.1007/s11696-025-04149-7
dc.identifier.endpage5746
dc.identifier.issn0366-6352
dc.identifier.issn2585-7290
dc.identifier.issue9
dc.identifier.orcid0000-0001-7679-7165
dc.identifier.scopus2-s2.0-105008898578
dc.identifier.scopusqualityQ2
dc.identifier.startpage5733
dc.identifier.urihttps://doi.org/10.1007/s11696-025-04149-7
dc.identifier.urihttps://hdl.handle.net/11616/109800
dc.identifier.volume79
dc.identifier.wosWOS:001514286600001
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer Int Publ Ag
dc.relation.ispartofChemical Papers
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subject1,5-dicaffeoylquinic acid
dc.subjectBio-activity-guided fractionation
dc.subjectCirsium
dc.subjectCollagenase
dc.subjectIn silico
dc.subjectLC-MS/MS
dc.subjectMelanoma
dc.titleBio-activity guided isolation of 1,5-dicaffeoyl quinic acid from Cirsium species and investigation of their therapeutic potency on melanoma through in vitro and in silico approaches
dc.typeArticle

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