LC-MS/MS analysis and diverse biological activities of Hypericum scabrum L.: In vitro and in silico research

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dc.contributor.authorAltay, Ahmet
dc.contributor.authorYeniceri, Esma
dc.contributor.authorTaslimi, Parham
dc.contributor.authorTaskin-Tok, Tugba
dc.contributor.authorYilmaz, Mustafa Abdullah
dc.contributor.authorKoksal, Ekrem
dc.date.accessioned2024-04-24T16:18:20Z
dc.date.available2024-04-24T16:18:20Z
dc.date.issued2022
dc.departmentDicle Üniversitesien_US
dc.description.abstractThis study was designed to determine the phytochemical composition of Hypericum scabrum extracts and investigate their biologically prominent activities. LC-MS/MS analysis revealed the presence of 29 phytochemicals in the plant extracts. The methanol extract (ME) exhibited the strongest DPPH radical scavenging (IC50: 18.57 mu g/mL) and ferric ion reducing capacity (74.20 mg TEAC/g). Besides, ME displayed the most promising a-glycosidase (IC50: 1.88 mu g/mL) and acetylcholinesterase AChE (IC50: 8.41 mu g/mL) inhibitory effect. The XTT assay results displayed the strong anti-proliferative activity of ME against MCF-7 (IC50: 56.45 mu g/mL) and MDA-MB-453 (IC50: 67.79 mu g/mL) cell lines. Flow cytometry studies confirmed the mitochondrial-dependent apoptotic effect of ME in MCF-7 cells. Finally, molecular docking studies revealed the best binding affinity of the compounds 1, 9, and 41 with AChE and alpha-Gly, while 41 exhibited the best affinity against caspase-3, caspase-9 and DNA. To conclude, this study provides essential data for further in vivo studies. (c) 2022 SAAB. Published by Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipErzincan Uni- versity Scientific Research Projects Coordination Commission [EU- BAP, 2020-736]en_US
dc.description.sponsorshipThis work was financially supported by grants from Erzincan Uni- versity Scientific Research Projects Coordination Commission (EU- BAP) (Project No: 2020-736) . The authors thank Esin Aki Yalcin and the research group for technical assistance. The authors also thank Prof. Dr. Ali Kandemir for plant collection and species identification.en_US
dc.identifier.doi10.1016/j.sajb.2022.08.032
dc.identifier.endpage955en_US
dc.identifier.issn0254-6299
dc.identifier.issn1727-9321
dc.identifier.scopus2-s2.0-85141542404
dc.identifier.scopusqualityQ1
dc.identifier.startpage940en_US
dc.identifier.urihttps://doi.org/10.1016/j.sajb.2022.08.032
dc.identifier.urihttps://hdl.handle.net/11468/16012
dc.identifier.volume150en_US
dc.identifier.wosWOS:000865415900014
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofSouth African Journal of Botany
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectHypericum Scabrumen_US
dc.subjectEnzyme Inhibitionen_US
dc.subjectCytotoxicityen_US
dc.subjectApoptosisen_US
dc.subjectMolecular Dockingen_US
dc.titleLC-MS/MS analysis and diverse biological activities of Hypericum scabrum L.: In vitro and in silico researchen_US
dc.titleLC-MS/MS analysis and diverse biological activities of Hypericum scabrum L.: In vitro and in silico research
dc.typeArticleen_US

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