Enzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods

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dc.authorid0000-0002-4090-7227en_US
dc.contributor.authorBursal, Ercan
dc.contributor.authorYılmaz, Mustafa Abdullah
dc.contributor.authorİzol, Ebubekir
dc.contributor.authorTürkan, Fikret
dc.contributor.authorAtalar, Mehmet Nuri
dc.contributor.authorMurahari, Manikanta
dc.contributor.authorAras, Abdulmelik
dc.contributor.authorAhmad, Mushtaq
dc.date.accessioned2022-12-15T13:07:42Z
dc.date.available2022-12-15T13:07:42Z
dc.date.issued2021en_US
dc.departmentDicle Üniversitesi, Eczacılık Fakültesi, Temel Eczacılık Bilimleri Bölümüen_US
dc.description.abstractMany plant species have a large diversity of secondary metabolites with different biological activities. This study aims to assess the phenolic constituent, enzyme inhibitory and antioxidant activities of the aqueous (water) and methanol extracts of Inula discoidea. The enzyme assays showed effective enzyme inhibition of the methanol extract against acetylcholinesterase (AChE), butyrylcholinesterase (BChE), glutathione S-transferase (GST), and alpha-glycosidase (alpha-Gly) enzymes. The IC50 values for AChE, BChE, GST, and alpha-Gly were found as 38.5 mg/mL, 34.65 mg/mL, 77.0 mg/mL, and 40.76 mg/mL, respectively. Antioxidant properties of the aqueous and methanol extracts of I. discoidea were determined by four well-known in vitro techniques (ABTS, CUPRAC, DPPH, and FRAP methods). The antioxidant values of both water and methanol extracts were found to be better than the standard antioxidants (BHA, BHT, ascorbic acid, and alpha-tocopherol) in ABTS and CUPRAC methods. According to an updated LC-MS/MS technique analysis, quinic acid (21.08 mg/g), protocatechuic acid (4.49 mg/g), and gallic acid (0.48 mg/g) were found as major phenolic compounds of the plant extract. The binding interactions of major phenolic compounds of I. discoidea with the AChE, BChE, GST, and alpha-Gly enzymes were investigated by the molecular docking studies.en_US
dc.identifier.citationBursal, E., Yılmaz, M.A., İzol, E., Türkan, F., Atalar, M.N., Murahari, M. ve diğerleri. (2021). Enzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods. Biophysical Chemistry, 277, 1-7.en_US
dc.identifier.doi10.1016/j.bpc.2021.106629
dc.identifier.endpage7en_US
dc.identifier.issn0301-4622
dc.identifier.issn1873-4200
dc.identifier.pmid34126547
dc.identifier.scopus2-s2.0-85107703077
dc.identifier.scopusqualityQ2
dc.identifier.startpage1en_US
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0301462221001113?via%3Dihub
dc.identifier.urihttps://hdl.handle.net/11468/11071
dc.identifier.volume277en_US
dc.identifier.wosWOS:000686156800005
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorYılmaz, Mustafa Abdullah
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofBiophysical Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAntioxidanten_US
dc.subjectEnzyme inhibitionen_US
dc.subjectInula discoideaen_US
dc.subjectMolecular dockingen_US
dc.subjectLC-MSen_US
dc.subjectMSen_US
dc.titleEnzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methodsen_US
dc.titleEnzyme inhibitory function and phytochemical profile of Inula discoidea using in vitro and in silico methods
dc.typeArticleen_US

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