Phytochemical composition, antioxidant, enzyme inhibition, antimicrobial effects, and molecular docking studies of Centaurea sivasica

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dc.authoridYirtici, Umit/0000-0002-0142-6105
dc.authoridAtalar, Mehmet Nuri/0000-0003-2993-2605
dc.contributor.authorYirtici, Umit
dc.contributor.authorErgene, Aysun
dc.contributor.authorAtalar, Mehmet Nuri
dc.contributor.authorAdem, Sevki
dc.date.accessioned2025-01-21T16:43:28Z
dc.date.available2025-01-21T16:43:28Z
dc.date.issued2022
dc.departmentKırıkkale Üniversitesi
dc.description.abstractIn this study, Centaurea sivasica Wageitz (Asteraceae) methanol extract was examined regarding phytochemical composition, in vitro antioxidant properties, ability to inhibit tyrosinase, alpha-amylase, alpha-glucosidase enzymes, and antimicrobial effects. Also, possible binding and interactions of phytochemicals with enzymes by molecular docking were determined. The extract's phenolic amount was 21.42 mg GAE/g extract, and the extract was determined to be rich in flavonoids (19.73 mg RE/g extract). Due to the results of liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) analysis, the main components of the methanol extract was scutellarin (27843.91 mu g/g), quercimeritrin (3629.85 mu g/g), chlorogenic acid (2519.68 mu g/g) and baicalin (920.49 mu g/g). The methanol extract was found to show remarkable activity in all antioxidant activity tests and had a high potential to inhibit the enzymes examined. The extract was radical scavenging on (DPPH and ABTS), reducing power (FRAP and CUPRAC), phosphomolybdenum assays were measured as 2.72, 69.58, 44.78, 141.18, 109.25 mg TE/g extract, respectively. Tyrosinase, alpha-amylase, and alpha-glucosidase inhibitory activities were 36.81 mg KE/g extract, 252.60 and 279.40 mg AKE/g extract, respectively. Scutellarin inhibited the tyrosinase enzyme very effectively, and its effect was found as 43.32 mu M or 20.38 mu g/mL. The extract showed different inhibition zones (16.3, 16.0, 15.0, 15.6 mm) and MIC values (500-1000 mu g/mL) on the microorganisms examined (B. cereus, S. aureus, E. coli, C. albicans). In molecular docking studies, the most abundant scutellarin in the extract was shown to affect both tyrosinase and alpha-glucosidase inhibition significantly. (C) 2021 SAAB. Published by Elsevier B.V. All rights reserved.
dc.description.sponsorshipResearch Fund of the Krkkale University [BAP 2017/057]
dc.description.sponsorshipThis work was supported by the Research Fund of the Krkkale University (BAP 2017/057) . Method validation and LC-ESI-MS/MS analysis in the study were carried out in Igdir University Research Laboratory Application and Research Center (ALUM) . The authors thank his contribution to collecting the plant samples Prof. Dr. E. Hamzaog?lu from Gazi University, Faculty of Education.
dc.identifier.doi10.1016/j.sajb.2021.08.043
dc.identifier.endpage71
dc.identifier.issn0254-6299
dc.identifier.issn1727-9321
dc.identifier.scopus2-s2.0-85115002606
dc.identifier.scopusqualityQ1
dc.identifier.startpage58
dc.identifier.urihttps://doi.org/10.1016/j.sajb.2021.08.043
dc.identifier.urihttps://hdl.handle.net/20.500.12587/25276
dc.identifier.volume144
dc.identifier.wosWOS:000701777600006
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofSouth African Journal of Botany
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_20241229
dc.subjectCentaurea sivasica; Antioxidant activity; Enzyme inhibitory; Scutellarin; Antimicrobial; LC-ESI-MS/MS
dc.titlePhytochemical composition, antioxidant, enzyme inhibition, antimicrobial effects, and molecular docking studies of Centaurea sivasica
dc.typeArticle

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