An Integrated In Vitro and In Silico Investigation of the Bioactive Properties of Wild Glycyrrhiza glabra var. glandulifera

dc.authorid0000-0002-8445-5082
dc.contributor.authorKizil, Hamit Emre
dc.contributor.authorUlcay, Sibel
dc.contributor.authorEkincioglu, Yavuz
dc.contributor.authorOgutcu, Hatice
dc.contributor.authorAgar, Guleray
dc.date.accessioned2026-02-28T12:17:43Z
dc.date.available2026-02-28T12:17:43Z
dc.date.issued2025
dc.departmentBayburt Üniversitesi
dc.description.abstractThis investigation examined methanol extracts obtained from the whole plant (encompassing all organs except roots), flowers, and fruits of wild Glycyrrhiza glabra var. glandulifera, a liquorice cultivar indigenous to the Cappadocia region of T & uuml;rkiye, constituting the first comprehensive in vitro and in silico analysis of this species within the region. Anatomical identification revealed distinctive structural characteristics, including thick-walled epidermal cells in the stem, organized clusters of collenchyma cells, and well-defined sclerenchyma layers encompassing the vascular bundles. The petiole exhibited a characteristic heart-shaped morphology containing three vascular bundles, while foliar analysis demonstrated the presence of stomata on both adaxial and abaxial surfaces, accompanied by a bifacial mesophyll arrangement. The extracts demonstrated remarkable antimicrobial efficacy against both Gram-positive and Gram-negative bacteria, as well as various fungal species. Furthermore, significant cytotoxic activity was observed against non-small cell lung cancer (H460), with the whole plant extract exhibiting IC50 values of 117.8 mu g/mL (24 h) and 105.6 mu g/mL (48 h). Flower extracts demonstrated IC50 values of 116.8 mu g/mL (24 h) and 112.7 mu g/mL (48 h), while fruit extracts displayed superior potency with IC50 values of 104.4 mu g/mL (24 h) and 63.09 mu g/mL (48 h). Molecular docking analyses, conducted utilizing AutoDock Tools 1.5.6 and BIOVIA Discovery Studio Visualizer 4.5, revealed significant protein-ligand interactions, yielding optimal binding energy and inhibition constant values of -9.57 kcal/mol and 96.92 nM, respectively. The RMSD values were calculated based on structural variations between ligand-protein complexes during re-docking procedures. These findings underscore the substantial biological potential of Glycyrrhiza glabra var. glandulifera from Cappadocia, necessitating further comprehensive investigation.
dc.description.sponsorshipBayburt University
dc.description.sponsorshipWe would like to thank the whole laboratory team for their material and moral support for the realisation of this research.
dc.identifier.doi10.1007/s11130-025-01304-z
dc.identifier.issn0921-9668
dc.identifier.issn1573-9104
dc.identifier.issue1
dc.identifier.pmid39928187
dc.identifier.scopus2-s2.0-85218134238
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1007/s11130-025-01304-z
dc.identifier.urihttps://hdl.handle.net/20.500.12403/5939
dc.identifier.volume80
dc.identifier.wosWOS:001417575300004
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherSpringer
dc.relation.ispartofPlant Foods for Human Nutrition
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WoS_20260218
dc.subjectGlycyrrhiza glabra var. glandulifera
dc.subjectGlycyrrhizic acid
dc.subjectAntimicrobial activities
dc.subjectCytotoxicity
dc.subjectBraf
dc.subjectMolecular docking
dc.titleAn Integrated In Vitro and In Silico Investigation of the Bioactive Properties of Wild Glycyrrhiza glabra var. glandulifera
dc.typeArticle

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