Exploring the anti-inflammatory and cytotoxic effects of Valeriana tuberosa L. constituents: Integrating in vitro and in silico studies

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dc.contributor.authorÇelik, Cansel
dc.contributor.authorÖzhan, Yağmur
dc.contributor.authorÖztürk, Ceren
dc.contributor.authorDede, Zülal Sevgi
dc.contributor.authorÇitoğlu, Tuğçe
dc.contributor.authorTekşen, Mehtap
dc.date.accessioned2025-07-09T08:03:56Z
dc.date.available2025-07-09T08:03:56Z
dc.date.issued2025
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractValeriana tuberosa L. yielded four new iridoids, valtuberoside I-IV (1–3 and 15), along with 13 known secondary metabolites via activity-directed fractionation. Compounds were characterized by NMR and HRESIMS. EtOH extract, fractions, and isolates were evaluated for their inhibition on nitric oxide (NO) release in LPS-induced RAW 264.7 cells. Compounds 3, 4, 6, 8, 9, 11, 13, 16, and 17 exhibited anti-inflammatory activity by inhibiting the release of NO (IC50 43.44–95.71 μM), and their mode of actions were elucidated by ELISA, Western blot, qPCR, immunostaining techniques and supported by molecular modelling studies. Compounds 8, 9, 11, 13, and 17 showed significant reduction in TNF-α, IL-1β, IL-6, PGE2, and COX-2 enzyme production, while 9 and 13 decreased iNOS protein expression in RAW 264.7 cells. Compound 13 exhibited remarkable inhibition on pro-inflammatory markers, cox-2 gene expression and translocation of NF-κB to the nuclear region. Moreover, it had the most favourable interaction (ds: −6.46 kcal/mol) with iNOS in in silico analyses. The cytotoxic activities of the most active isolates against MCF-7, MDA-MB-231, U87, A172, MIA PaCa-2, PANC-1, Mahlavu, and Hep3B cancer cell lines were assessed using CCK8 assay and their cell death mechanisms were unveiled via Apoptosis/Necrosis Assay Kit. Compound 8 had significant cytotoxic activity against MIA PaCa-2 (IC50 23.7 μM) and Hep3B (IC50 25.4 μM) cancer cell lines, via arresting cell cycle especially in G2/M phase and triggering the apoptotic pathway. These findings indicated that 8 and 13 deserve further in vivo assays on the way to discover new potential drug leads.
dc.identifier.doi10.1016/j.fitote.2025.106604
dc.identifier.issn0367326X
dc.identifier.pmid40345339
dc.identifier.scopus105004453186
dc.identifier.urihttps://dx.doi.org/10.1016/j.fitote.2025.106604
dc.identifier.urihttps://hdl.handle.net/20.500.12451/13216
dc.identifier.volume184
dc.identifier.wosWOS:001490515500005
dc.identifier.wosqualityQ3
dc.indekslendigikaynakPubMed
dc.indekslendigikaynakScopus
dc.indekslendigikaynakWeb of Science
dc.institutionauthorTekşen, Mehtap
dc.language.isoen
dc.publisherElsevier B.V.
dc.relation.ispartofFitoterapia
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAnti-inflammatory Activity
dc.subjectCytotoxic Activity
dc.subjectIn Silico
dc.subjectIridoids
dc.subjectNO İnhibition
dc.subjectValeriana Tuberosa
dc.titleExploring the anti-inflammatory and cytotoxic effects of Valeriana tuberosa L. constituents: Integrating in vitro and in silico studies
dc.typeArticle

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