Shedding Light on the Phytochemical and Biological Fingerprints of Fibigia clypeata (L.) Medik Essential Oil as a Pharmacotherapeutic Agent

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dc.contributor.authorUnver, Tuba
dc.contributor.authorBingul, Murat
dc.contributor.authorUslu, Harun
dc.contributor.authorGurhan, Ismet
dc.contributor.authorGoktas, Bunyamin
dc.contributor.authorSahin, Hasan
dc.contributor.authorBoga, Mehmet
dc.date.accessioned2026-04-04T13:37:40Z
dc.date.available2026-04-04T13:37:40Z
dc.date.issued2025
dc.departmentİnönü Üniversitesi
dc.description.abstractSince plant essential oil contains medicinally valuable compounds, its usability as a pharmacotherapeutic agent has been the focus of attention within the century's needs. The lack of sufficient studies on the medical and pharmacological evaluation of Fibigia clypeata (L.) Medik has made this plant the target of our study. This study analyzes the phytochemical composition and biological activity of F. clypeata essential oil. As a result, dimethyl disulfide and dimethyl trisulfide were found to be the main compounds of the plant essential oil, with rates of 73.13% and 19.87%, respectively. The antifungal property of plant essential oil is more effective than its antibacterial property, with MIC values ranging between 0.039 and 0.312 mu L/mL for fungal species and up to 3.750 mu L/mL for bacterial species. The enzyme inhibition profiles were investigated towards two enzymes, namely, anticholinesterase and alpha-glucosidase, targeted for anti-diabetic studies. Anticholinesterase activity was proved with the IC50 values of 17.31 and 4.78 mu g/mL for Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE) enzymes, respectively. DPPH and CUPRAC activities were the most promising antioxidant studies, with values of 1.54 and 3.72 mu g/mL. It was observed that alpha-Terpineol made a hydrogen bond with ASN80, and 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)ethanol made a hydrogen bond with SER82. Although molecular dock scores were better for antifungal activity, it was determined that no interactions, such as hydrogen bonding or pi interaction, were observed. This preliminary study showed that F. clypeata essential oil is a natural source with promising in vitro antimicrobial, antioxidant, and anticholinesterase activities that warrants further investigation, including safety assessments, due to the high concentration of sulfur-containing compounds. Molecular docking and ADME prediction results showed that alpha-Terpineol and 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)ethanol were more prone to antimicrobial activity.
dc.identifier.doi10.1002/fsn3.70493
dc.identifier.issn2048-7177
dc.identifier.issue7
dc.identifier.orcid0000-0001-7017-2447
dc.identifier.orcid0000-0003-4163-9962
dc.identifier.orcid0000-0002-8655-2716
dc.identifier.orcid0000-0002-8325-8116
dc.identifier.orcid0000-0001-8827-8557
dc.identifier.orcid0000-0003-2345-7313
dc.identifier.orcid0000-0002-3909-0694
dc.identifier.pmid40621194
dc.identifier.scopus2-s2.0-105009842835
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://doi.org/10.1002/fsn3.70493
dc.identifier.urihttps://hdl.handle.net/11616/109981
dc.identifier.volume13
dc.identifier.wosWOS:001538714100042
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherWiley
dc.relation.ispartofFood Science & Nutrition
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WOS_20250329
dc.subjectADME predictions
dc.subjectanticholinesterase activity
dc.subjectantimicrobial agents
dc.subjectantioxidants
dc.subjectdimethyl disulfide
dc.subjectdimethyl trisulfide
dc.subjectFibigia clypeata
dc.subjectmolecular docking
dc.titleShedding Light on the Phytochemical and Biological Fingerprints of Fibigia clypeata (L.) Medik Essential Oil as a Pharmacotherapeutic Agent
dc.typeArticle

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