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  • MakaleAçık Erişim2026
    Chemical profiling, biological evaluation, and QSAR-informed metabolite prioritization of Hypericum ekerii: a first report on antioxidant, enzyme inhibitory, and cytotoxic activities

    Zengin, Gokhan; Yagi, Sakina; Cetiz, Mehmet Veysi; Uba, Abdullahi Ibrahim; Nikolic, Filip; Gasic, Uros; Balos, Mehmet Maruf; Erharman, Ahmet; Dogan, Nurettin; Koyuncu, Ismail

    Hypericum ekerii Y & uuml;ce and Ayta & ccedil;, first described in 2017, remains poorly characterized in terms of its phytochemical composition and biological properties. This study investigated aerial-part extracts of H. ekerii prepared with ethyl acetate, acetone, 70% acetone-water, and water. The hydroacetone extract showed the highest total phenolic and flavonoid contents. LC/MS analysis enabled the annotation of 99 constituents, including phenolic acids, flavonoids, xanthones, anthraquinones, and acylphloroglucinols. The hydroacetone extract exhibited the strongest radical-scavenging and reducing activities, whereas acetone and ethyl acetate extracts showed the highest metal-chelating capacity. In enzyme assays, hydroacetone was the most active extract against acetylcholinesterase, tyrosinase, and hCA II, while ethyl acetate showed greater inhibition of butyrylcholinesterase and hCA I. The aqueous extract was the most active against alpha-glucosidase, and hydroacetone and ethyl acetate showed comparable alpha-amylase inhibition. Cytotoxicity remained limited overall; the lowest IC50 value was observed for the ethyl acetate extract against HCT-116 cells (95.09 & micro;g mL-1), with weak selectivity (SI = 1.2). A QSAR-informed prioritization framework identified myricetin as the leading cross-layer candidate, p-coumaric acid as a target-specific priority metabolite, and ellagic acid, quercetin, and caffeic acid as antioxidant-priority candidates. Molecular docking supported favorable binding profiles for selected metabolites, while molecular dynamics simulations were used to assess the stability of representative complexes. Overall, H. ekerii appears to be a chemically diverse species with notable antioxidant and enzyme-inhibitory potential, providing a focused basis for future compound-level validation.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2026
    Beyond the fruit: phenolic composition, cytotoxicity, antioxidant, and multi-enzyme inhibitory activity of twig and leaf extracts from four understudied Turkish Rosa species

    Salehi, Hajar; Terzic, Milena; Ak, Gunes; Zengin, Gokhan; Swiatek, Lukasz; Salwa, Kinga; Yapici, Ismail; Gulcin, Ilhami; Yildiztugay, Evren; Lucini, Luigi

    The phytochemical profile and multi-target bioactivity of four Turkish Rosa species, R. canina, R. hemisphaerica, R. horrida, and R. pulverulenta, were evaluated across vegetative organs (twigs and leaves) and three solvent polarities (ethyl acetate (EA), methanol (MeOH), water), in total 24 extracts. Untargeted Ultra-High-Performance Liquid Chromatography-Quadrupole Time-of-Flight Mass Spectrometry (UHPLC-QTOF-MS) metabolomics, along with total phenolic (TPC) and flavonoid (TFC) content, six antioxidant assays and inhibition of seven enzymes were determined. Twig EA extracts displayed unexpectedly high TPC (83-105 mg gallic acid equivalent (GAE) per g) and TFC (35-47 mg rutin equivalent (RE) per g), indicative of selective aglycone flavonoid enrichment. The phenolic profiles identified 337 putative compounds, of which 60.84% belonged to the flavonoid class. The semi-quantitative analysis also indicates that methanol and water extracts had higher quantities of glycosylated flavonoids and phenolic acids, while EA extracts were richer in lignans, especially R. horrida-leaf-EA (1743.25 & micro;g SE per g DW), and polyphenols. In enzyme inhibition assays, EA extracts demonstrated consistent multi-target activity: AChE inhibition (up to 2.49 mg galantamine equivalent (GALAE) per g), BChE inhibition (up to 4.44 mg GALAE per g), tyrosinase inhibition (up to 63.58 mg kojic acid equivalent (KAE) per g), alpha-amylase inhibition (up to 0.72 mmol acarbose equivalent ACAE per g), and carbonic anhydrase inhibition (CA I IC50 as low as 12.17 & micro;g mL-1). The R. hemisphaerica-twig-EA extract showed highly selective cytotoxic activity against A375 cells, with a 50% cytotoxic concentration (CC50) of 3.22 & micro;g mL-1 and an SI of 73.95, compared to VERO cells. This is the first report of carbonic anhydrase inhibition, BChE-selective activity, cytotoxicity, and comprehensive enzyme-inhibitory data for R. hemisphaerica, R. horrida, and R. pulverulenta. These findings reframe the phytopharmacological potential of Turkish Rosa species beyond their traditionally studied fruit.

  • MakaleYalnız künye2026
    Chemical characterization and bioactivity assessment of Erodium cedrorum subsp. salmoneum extracts supported by in silico analysis

    Yagi, Sakina; Zengin, Gokhan; Zoltan, Cziaky; Jeko, Josef; Ivashchanka, Yahor; Turecka, Katarzyna; Halasa, Rafal; Gucwa, Magdalena; Kochan-Jamrozy, Kinga; Stefanowicz-Hajduk, Justyna

    The growing interest in natural products, particularly as food additives and pharmaceutical raw materials, is making research into discovering new sources especially important. Erodium cedrorum subsp. salmoneum (family Geraniaceae) is used traditionally to cure many ailments like diabetes and gastro-intestinal diseases. Within this background, the current study was designed to investigate, for the first time, the chemical composition, antioxidant and enzyme inhibitory poroperties of different extracts from the aerial parts and roots of E. cedrorum. Results revealed that the aqueous extract of the aerial parts accumulated the highest total phenolic (85.35 mg GAE/g) and flavonoids (28.65 mg RE/g) contents. A total of 61 and 45 compounds, belonging mainly to phenolic acids and flavonoids, were tentatively identified in the aerial parts and roots extracts respectively. The aqueous extract from the aerial parts exerted the highest antiradical, ions reducing and chelation properties. The EtOH and 70% EtOH extracts of the two organs recorded the best anti-acetylcholinesterase activity (2.18 -2.41 mg GALAE/g; p >= 0.05) while those of the roots recorded respectively the best anti-butyrylcholinesterase and antityrosinase activities. The most potent antibacterial activity was exhibited by the 70% EtOH extracts from aerial parts and the pure EtOH extracts from roots. In contrast, ethyl acetate extracts from both plant parts showed only marginal activity. Among the tested strains, the highest susceptibility was observed against C. sporogenes ATCC 19404, C. bifermentans ATCC 638, S. aureus ATCC 6538, S. aureus ATCC 43300 (MRSA), C. diphtheriae PCM 506, and H. pylori ATCC 43504. The extracts were also examined for their anti-cancer potential on the HeLa, AGS and SKOV-3 cell lines, as well as a non-cancerous cell line. The ethyl acetate extract of the roots exhibited the most potent anti-cancer activity, with the lowest IC50 values. In addition, selected top-ranked complexes against AChE, alpha-amylase, representative bacterial and oncogenic targets were further evaluated by molecular docking and 100 ns molecular dynamics (MD) simulations, indicating overall conformational stability and persistent binding. In conclusion, these results position E. cedrorum as a valuable natural source of antioxidant and enzyme-inhibitory agents, meriting further exploration for drug development purposes.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2026
    Chemical Constituents and Biological Potentials of Teucrium scordium subsp. scordioides Extracts: In Vitro Experimental and In Silico Perspectives

    Akgul, Bengusu Hacer; Yagi, Sakina; Cetiz, Mehmet Veysi; Saka, Enver; Zengin, Gokhan; Llorent-Martínez, Eulogio J.; Gómez-Torres, Marina; Yapici, Ismail; Gulcin, Ilhami; Yildiztugay, Evren

    This study was undertaken to examine, for the first time, the antioxidant and enzyme inhibitory properties of several extracts obtained from the aerial parts of Teucrium scordium subsp. scordioides (Schreb.) Arcang (family: Lamiaceae). Among the extracts, the EtOH extract contained the highest total phenolic (89.96 mg GAE/g) and flavonoid (45.74 mg RE/g) contents. Phenylethanoid glycosides were predominant, particularly in the ethanol and aqueous extracts, and teucroside/forsythoside B and verbascoside/forsythoside A were tentatively identified as the major compounds. EtOH and 70% EtOH extracts showed comparable (p > 0.05) anti-DPPH activity (201.89 and 188.52 mg TE/g), Cu++ (562.81 and 547.88 mg TE/g), and Fe+++ (329.13 and 320.08 mg TE/g) reducing capacities. The EtOH extract showed the best antityrosinase activity (72.00 mg KAE/g). The EtOAc extract inhibited human carbonic anhydrase (CA) isoenzymes I and CAII (IC50 = 26.86 and 65.37 mu g/mL, respectively). Complementary in silico analyses of the major phenylethanoid and flavonoid glycosides supported their possible multitarget interaction patterns and identified the Forsythoside A-BChE complex as a computationally favorable model for future experimental validation. Overall, these findings indicate that T. scordium subsp. scordioides may represent a natural source of antioxidants and enzyme inhibitors for use in different health-promoting formulations.

  • MakaleYalnız künye2026
    Phytochemical profiling, biological activities, and molecular docking analysis of Dorycnium pentaphyllum subsp. haussknechtii

    Ayna, Adnan; Hakan, Oguzhan; Yapıcı, İsmail; İzol, Ebubekir; Yılmaz, Mustafa Abdullah; Necip, Adem; Yapar, Yakup

    BACKGROUND: In the current study, the biological activity fingerprint of Dorycnium pentaphyllum subsp. haussknechtii was investigated by an interdisciplinary approach through analysis of its phytochemical content, antioxidant capacity, enzyme inhibitory potential and molecular docking. RESULTS: The analysis of the phytochemical content by liquid chromatography–tandem mass spectrometry was characterized by the presence of flavan-3-ols, such as epicatechin, epigallocatechin, and catechin, as well as quercetin-derived flavonoids such as isoquercitrin. Analysis of the antioxidant capacity by 2,2-diphenyl-1-picrylhydrazyl, 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid), ferric reducing antioxidant power, Fe3+–Fe2+ reducing and cupric reducing antioxidant capacity methods indicated the strong antioxidant capacity of the plant extract. In addition, the plant extract was able to modulate biological enzyme activity effectively, with IC50 values of 111.78 μg mL−1 for acetylcholinesterase, 22.07 μg mL−1 for butyrylcholinesterase, 1.39 μg mL−1 for α-glucosidase, 7.34 μg mL−1 for carbonic anhydrase I, and 17.41 μg mL−1 for carbonic anhydrase II. To have a better understanding of the molecular mechanism for the plant extract's properties, the major phenolic compounds present in the plant extract were investigated for molecular docking with their respective enzymes. As such, the results revealed a strong binding affinity and conformational stability, with strong hydrogen bonding and π–π interactions. CONCLUSION: Generally, the properties revealed by the plant extract indicate that the phenolic content, strong antioxidant properties, and enzyme inhibition activity of D. pentaphyllum subsp. haussknechtii have shown great potential for being a useful natural source for therapeutic lead compounds.

  • MakaleAçık Erişim2026
    Chemical Profiling of Stachys cretica subsp. anatolica Rech. f. (Endemic) Essential Oils and their Methanol Extracts with Evaluation as Enzyme Inhibitors, Antioxidant, and Antimicrobial Agents

    Öz, Mehmet; Fidan, Muhammed Said; Baltacı, Cemalettin; Akmeşe, Osman; Sefalı, Abdurrahman; Aygül, İmdat

    Enzyme inhibition activities, phenolic compounds, antioxidant activities, bioactive compounds, antimicrobial activities, and chemical components of essential oil and methanol extracts obtained from the aerial parts of S. cretica subsp. anatolica were investigated. The main phenolic compounds of aerial parts were catechin, oleuropein, and epicatechin. The determined enzyme inhibitor activities highlight the potential of S. cretica subsp. anatolica as a source of bioactive compounds, particularly for carbonic anhydrase and cholinesterase inhibition. The essential oil and methanol extract exhibited remarkable activities against CA-II, AChE, and BChE, although they were less potent than standard inhibitors. The essential oils generally showed stronger antimicrobial activity compared to the 30% methanol extracts across most bacterial and fungal strains, as evidenced by minimum lethal concentration (MLC) and lower minimum inhibitory concentration (MIC) values and larger inhibition zones. Chloramphenicol used alone exhibited the highest antimicrobial efficacy, with the lowest MIC and MLC values and the largest inhibition zones. The essential oils of S. cretica subsp. anatolica were determined as esters, oxygenated sesquiterpenes, and aldehydes in aerial parts. The main components were found to be hexahydrofarnesyl acetone in the aerial parts.

  • MakaleAçık Erişim2026
    Chemical Profiling and Biological Activities of Methanol Extracts and Essential Oils From Ferulago Platycarpa Boiss. & Balansa (Endemic): Enzyme Inhibition, Antioxidant, and Antimicrobial Properties

    Aygül, İmdat; Öz, Mehmet; Fidan, Muhammed Said; Baltacı, Cemalettin; Akmeşe, Osman; Sefalı, Abdurrahman

    This study aimed to evaluate the phytochemical composition and biological activities of Ferulago platycarpa methanol extract (ME) and essential oil (EO). The EO was obtained via hydrodistillation and analyzed by GC-MS, revealing sesquiterpene hydrocarbons as the dominant class, with caryophyllene (65.8%) and α-pinene (9.65%) as the major constituents. The methanol extract was subjected to LC-MS/MS analysis, which identified eleven phenolic compounds, with chlorogenic acid as the most abundant. The extract showed significantly higher total phenolic (1196.22±11.64 mg GAE/100g) and antioxidant (1870.00±17.69 mg QEE/100g) contents compared to the ME. In vitro enzyme inhibition assays demonstrated that the methanol extract exhibited potent inhibitory activity against carbonic anhydrase II (CA-II, ICSO= 0.023 pg/mL), acetylcholinesterase (AChE, ICSO= 110 pg/mL), and butyrylcholinesterase (BChE, IC50= 390 pg/mL). In contrast, the EO showed higher inhibition against α-amylase (IC50= 5920±10.45 pg/mL) and BChE (IC50= 1.32±0.65 pg/mL), while its α-glucosidase showed no inhibition. Antioxidant assays indicated superior activity for the methanol extract compared to the EO. Furthermore, antimicrobial testing revealed that the EO demonstrated broader and more effective antimicrobial action, exhibiting lower MIC and MBC values against several bacterial and fungal strains. Collectively, these results highlight F. platycarpa as a valuable source of bioactive compounds with promising applications in antidiabetic, neuroprotective, antioxidant, and antimicrobial therapies.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2026
    Evaluation of antioxidant and antiproliferative activities of shogaol and its modulatory effects on key metabolic enzymes

    Yapıcı, İsmail; Gülçin, İlhami

    Phenolic compounds are versatile bioactive molecules, particularly in food applications. In this study, the antioxidant capacity of Shogaol, a member of the phenolic class, was evaluated using several methods. Additionally, its inhibitory effects on human carbonic anhydrase I and II (hCA I and II), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), α-glycosidase, and α-amylase enzymes, as well as its antiproliferative effects on A-549 lung cancer, HT-29 colon cancer, MCF-7 and MDA-MB-453 breast cancer cell lines, and the 3T3-L1 mouse fibroblast normal cell line, were investigated. To determine the antioxidant capacity of Shogaol, DPPH and ABTS radical scavenging assays, as well as Cu²⁺, Fe³⁺, and FRAP reduction methods, were employed. Its inhibitory effects on hCA I and II, AChE, BChE, α-glycosidase, and α-amylase enzymes were examined. Furthermore, cell counting was performed using the TBE method, and cell viability was measured with the XTT assay to assess the antiproliferative effects of Shogaol on A-549, HT-29, MCF-7, MDA-MB-453, and 3T3-L1 cell lines. Shogaol demonstrated higher antioxidant capacity than BHA, BHT, and Trolox in the FRAP assay (60 µg/mL), higher than BHT in the DPPH scavenging assay, and higher than Trolox in the ABTS, Cu²⁺, and Fe³⁺ reduction assays. Shogaol also exhibited significant inhibitory effects against hCA I, hCA II, AChE, BChE, and α-glycosidase, with IC₅₀ values of 75.91, 47.04, 37.44, 24.11, and 35.72 nM, respectively. Moreover, Shogaol showed a more potent antiproliferative effect than the standard chemotherapeutic drug Carboplatin in A-549 lung cancer and HT-29 colon cancer cell lines, and greater efficacy than Docetaxel in the MCF-7 breast cancer cell line.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2026
    A multi-evidence computational and experimental strategy for Silene nerimaniae: combining phytochemical characterization, bioactivity assessment, and ADEFRank-HCT-116-based metabolite prioritization

    Erharman, Ahmet; Yagi, Sakina; Uba, Abdullahi Ibrahim; Nikolic, Filip; Gasic, Uros; Acar, Mikail; Dogan, Nurettin; Koyuncu, Ismail; Yapici, Ismail; Gulcin, Ilhami

    This study presents the first comprehensive evaluation of the phytochemical composition, antioxidant properties, enzyme inhibitory effects, and cytotoxic potential of Silene nerimaniae G.E.Gen & ccedil;, Kandemir & & Idot;.Gen & ccedil; (family Caryophyllaceae). Ethyl acetate, acetone, 70% acetone, and aqueous extracts were obtained from the aerial parts of the plant through maceration. Among the tested extracts, the acetone extract contained the highest total phenolic (24.37 mg GAE per g) and flavonoid (24.64 mg RE per g) contents. LC-MS analysis identified 52 bioactive constituents, including sugars, organic acids, phenolic acids, flavonoids, and fatty acids. The aqueous extract demonstrated the strongest radical scavenging activity against DPPH (23.02 mg TE per g) and ABTS (55.76 mg TE per g), as well as the highest Fe3+ reducing power (37.53 mg TE per g). In combination with the acetone extract, it also exhibited notable Cu2+ reducing activity (47.78 mg TE per g). Regarding enzyme inhibition, the ethyl acetate, acetone, and hydroacetone extracts displayed the strongest inhibitory activities against acetylcholinesterase (1.87 mg GALA per g), butyrylcholinesterase (2.92 mg GALA per g), and tyrosinase (60.44 mg KAE per g), respectively. All three extracts also inhibited alpha-amylase activity within the range of 0.73-0.77 mmol ACAE per g (p >= 0.05). In addition, the hydroacetone extract showed considerable inhibition of human carbonic anhydrase isoenzymes I (IC50 = 38.78 mu g mL-1) and II (IC50 = 19.59 mu g mL-1). The ethyl acetate extract exhibited the strongest cytotoxic effect against the colorectal cancer cell line HCT-116, with an IC50 value of 0.639 mu g mL-1 and a selectivity index of 1.7. To contextualize this HCT-116-associated activity at the metabolite level, an ADEFRank-HCT116 (abundance-domain-evidence fusion ranking) workflow was applied by integrating EtOAc abundance, HCT-116-oriented QSAR evidence, applicability-domain confidence, and structure-assignment reliability. This analysis prioritized diosmetin, luteolin, eriodyctiol, acacetin, and isorhamnetin as core candidates for structure-based follow-up. Molecular docking screening predicted favorable docking profiles for the prioritized candidates, while 100 ns molecular dynamics simulations were used to assess the dynamic stability of the representative luteolin-PI3K alpha, diosmetin-AKT1, and isorhamnetin-GSK-3 beta complexes. Taken together, these results indicate that S. nerimaniae may represent a valuable source of active compounds for various functional nutraceutical, cosmetic and pharmaceutical uses.

  • MakaleAçık Erişim2025
    Evaluation of antioxidant, antimicrobial, and α-amylase enzyme inhibition properties of Rosa canina seed extracts prepared with different solvents using maceration and ultrasound-assisted extraction methods

    Baltaci, Cemalettin; Akmeşe, Osman; Aygül, İmdat; Kılınç, Kagan; Hafedh, Mohammed

    The efficient extraction of bioactive molecules from medicinal plants is strongly related to the solvents and methods used. This study evaluated the impact of solvent selection and extraction methods on the bioactive potential of Rosa canina seed extracts, focusing on antioxidant, antimicrobial, and α-amylase inhibitory activities. Four solvents —dimethyl sulfoxide (DMSO), ethanol-water (80:20), ethyl acetate, and acetonitrile— were paired with maceration and ultrasonic techniques to generate eight extracts (DMM, DMU, ESM, ESU, EAM, EAU, ACM, ACS). Antioxidant activity was assessed via total phenolic (TPC) and flavonoid (TFC) content, FRAP, DPPH, and ABTS assays. Antimicrobial efficacy was tested against seven microorganisms (Gram+, Gram−, and yeast) using well diffusion and MIC methods, while α-amylase inhibition was quantified via IC50. The ethyl acetate ultrasonic extract (EAU) exhibited the highest TPC (63.86 mg GAE/g) and TFC (210.23 mg QE/g), along with superior antioxidant activity across all assays (P < 0.05). Ethyl acetate maceration (EAM) ranked second, underscoring ethyl acetate’s efficacy. Acetonitrile maceration (ACM) demonstrated the strongest α-amylase inhibition (IC50 = 20.46 mg/mL). All extracts showed notable antimicrobial activity against Aeromonas hydrophila and Klebsiella pneumoniae, though efficacy varied for other strains. DMSO-based extracts (DMM/DMU) consistently underperformed. These findings highlight ethyl acetate (EAU/EAM) as optimal for antioxidant-rich extracts and ACM for enzyme inhibition, positioning Rosa canina seeds as a promising source of natural bioactive compounds for functional food and therapeutic applications.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
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AlanDeğerDil
dc.date.accessioned2026-10-22T08:47:33.514804207Z
dc.date.available2026-10-22T08:47:33.514804207Z
dc.identifier.urihttps://rdlopen.rawdatalibrary.net/r/gumushane/10017
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleMerkezi Araştırma Laboratuvarı Uygulama ve Araştırma Merkezitr
dc.titleCentral Research Laboratory Application and Research Centeren
dspace.entity.typeOrgUnit
organization.identifier.codegumushane-rektorluk-merkezi-arastirma-laboratuvari-uygulama
organization.unitTypeother
rdl.unit.alias\bmerkezi arastirma laboratuvari uygulama ve arastirma merkezi\b
rdl.unit.alias\bcentral (research )?lab(oratory)?\b