Sürdürülebilir Kalkınma Amaçları

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• MakaleAçık Erişim2026/r/gumushane/10638
  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.

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• MakaleAçık Erişim2026/r/gumushane/10479
  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.

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• MakaleYalnız künye2026/r/gumushane/10603
  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.

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• MakaleAçık Erişim2026/r/gumushane/10501
  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.

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• MakaleAçık Erişim2026/r/gumushane/12099
  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.

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• MakaleAçık Erişim2026/r/gumushane/10657
  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.

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• MakaleYalnız künye2025/r/gumushane/16192
  Phytochemical Profile, Antioxidant Capacity, Acetylcholinesterase, and Butyrylcholinesterase Enzyme Inhibition Properties of Myosotis amoena Boiss

  Yapici, Ismail; Kayaoglu, Esma; Izol, Ebubekir; Yilmaz, Mustafa Abdullah; Behçet, Lutfi; Cakir, Oguz; Gülçin, Ilhami

  Myosotis amoena Boiss. (Turkish name: Ho & scedil; boncukotu) is a perennial herbaceous plant that produces blue flowers during the spring. Phytochemicals, which are secondary metabolites distributed across plants, fungi, microorganisms, and even animal tissues, play crucial roles in health through their antioxidant and bioactive properties. Their antioxidant capacity largely arises from hydroxyl groups and aromatic ring structures that stabilize free radicals via electron delocalization. Enzyme inhibition is a therapeutic strategy in several diseases, including Alzheimer's disease (AD), where acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors are employed to manage symptoms. This study investigated the phytochemical composition (via LC-MS/MS), total phenolic content, antioxidant capacity, and AChE/BChE inhibitory effects of the ethanol extract of M. amoena using four in vitro methods. The CUPRAC assay demonstrated that M. amoena (1.070) exhibited higher antioxidant activity than Trolox (0.894), although its activity in FRAP, ABTS, and Fe3+ reduction assays was lower compared to standard antioxidants. The extract contained 53.03 mg GAE/g extract of total phenolics, with rosmarinic acid being the predominant compound (15.27 mg/g). Furthermore, the extract strongly inhibited AChE and BChE, with IC50 values of 3.9 and 19.8 mu g/mL, respectively. These findings highlight, for the first time, the significant bioactive potential of M. amoena as a natural source of antioxidants and cholinesterase inhibitors, supporting its prospective use in the prevention or management of neurodegenerative conditions.

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• MakaleAçık Erişim2025/r/gumushane/12426
  Evaluation of Antioxidant and Enzyme Inhibition Properties of Siran Propolis: Correlations With Phenolic Content Determined by LC–MS/MS

  Balci, Neslihan; Aslan, Kubra; Erturk, Adem; Gulcin, Ilhami

  This study evaluates the antioxidant activity, enzyme inhibition potential, and phenolic composition of ethanolic Siran propolis extract. Antioxidant capacity was measured using reducing power (CUPRAC, FRAP, and Fe3+-reducing) and radical scavenging (DPPH·, ABTS·+, and DMPD·+) assays. The extract showed strong reducing ability, surpassing standard antioxidants in CUPRAC and FRAP assays, correlating with high ferulic acid (40.40 mg/g) and p-coumaric acid (88.60 mg/g) levels identified by LC–MS/MS. While it demonstrated notable DPPH· scavenging (IC50: 30.14 μg/mL), ABTS·+ activity was weaker (IC50: 272.44 μg/mL). Enzyme inhibition assays indicated effective inhibition of α-glycosidase, AChE (IC50: 2.15 μg/mL), hCA I, and hCA II. Notably, AChE inhibition was stronger than the standard tacrine inhibitor (IC50: 8.82 μg/mL), suggesting neuroprotective potential. The observed bioactivities are attributed to synergistic effects of phenolic acids and flavonoids, including quercetin, luteolin, taxifolin, and resveratrol. These findings highlight Siran propolis as a promising natural antioxidant and enzyme inhibitor source with potential therapeutic applications and food formulations.

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• MakaleYalnız künye2024/r/gumushane/12764
  Assessment of Anticholinergic and Antidiabetic Properties of Some Natural and Synthetic Molecules: An In Vitro and In Silico Approach

  Çomaklı, Veysel; Aygül, İmdat; Sağlamtaş, Rüya; Kuzu, Müslüm; Demirdağ, Ramazan; Akincioğlu, Hülya; Adem, Şevki; Gülçin, İlhami

  Introduction: This study aimed to determine the in vitro and in silico effects of some natural and synthetic molecules on acetylcholinesterase (AChE), butyrylcholinesterase (BChE) and α-glucosidase enzymes. Background: Alzheimer's disease (AD) and Type II diabetes mellitus (T2DM) are considered the most important diseases of today’s world. However, the side effects of therapeutic agents used in both diseases limit their use. Therefore, developing drugs with high therapeutic efficacy and better pharmacological profile is important. Objectives: This study sets out to determine the related enzyme inhibitors used in treating AD and T2DM, considered amongst the most important diseases of today’s world. Methods: In the current study, the in vitro and in silico effects of dienestrol, hesperetin, L-thyroxine, 3,3',5-Triiodo-L-thyronine (T3) and dobutamine molecules on AChE, BChE and α-glycosidase enzyme activities were investigated. Results: All the molecules showed an inhibitory effect on the enzymes. The IC50 and Ki values of the L-Thyroxine molecule, which showed the strongest inhibition effect for the AChE enzyme, were determined as 1.71 µM and 0.83 ± 0.195 µM, respectively. In addition, dienestrol, T3, and dobutamine molecules showed a more substantial inhibition effect than tacrine. The dobutamine molecule showed the most substantial inhibition effect for the BChE enzyme, and IC50 and Ki values were determined as 1.83 µM and 0.845 ± 0.143 µM, respectively. The IC50 and Ki values for the hesperetin molecule, which showed the strongest inhibition for the α-glycosidase enzyme, were determined as 13.57 µM and 12.33 ± 2.57 µM, respectively. Conclusion: According to the results obtained, the molecules used in the study may be considered potential inhibitor candidates for AChE, BChE and α-glycosidase.

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• MakaleAçık Erişim2024/r/gumushane/12758
  Chemical Content by LC–MS/MS, Antiglaucoma, and Antioxidant Activity of Propolis Samples From Different Regions of Türkiye

  İzol, Ebubekir; Bursal, Ercan; Yapıcı, İsmail; Abdullah Yilmaz, Mustafa; Yilmaz, İsa; Gülçin, İlhami

  Propolis is a sticky substance produced by bees because of the reaction of beeswax, pollen, and bee enzymes. Particularly, their biological activity and chemical content attract attention. Thus, in this study, the total amount of phenolic and flavonoid substances, Fe3+-Fe2+, Cu2+ (cupric ions reducing activity [CUPRAC]), and Fe3+-TPTZ (ferric ions reducing antioxidant power [FRAP]) reducing, and DPPH• and ABTS•+ scavenging assays in vitro antioxidant properties of propolis samples obtained from four different provinces of Türkiye were determined. In addition, the chemical content of propolis samples was quantitatively determined by LC–MS/MS, and the antiglaucoma property was revealed by hCAII enzyme inhibition. Propolis samples from Ordu presented the highest amounts of total phenolic and flavonoid content (492.3 ± 5.8 and 96.1 ± 2.1, respectively) and also highest antioxidant activity (DPPH• and ABTS•+ IC50 [μg/mL]: 8.884 ± 0.84 and 4.589 ± 0.80, respectively; Fe+3, CUPRAC, and FRAP: 1.051 ± 0.012, 1.021 ± 0.008, and 0.957 ± 0.007 μg/mL, respectively). hCAII enzyme inhibition was highest in Muş propolis (IC50 [μg/mL]: 8.6) as determined. By LC–MS/MS, 53 different components were screened and 35 bioactive components were determined. According to the results, propolis was found to be a raw material because it contains high concentrations of acacetin, chrysin, caffeic acid, and quinic acid (123.824, 24.759, 47.779, and 16.32 mg analyte/g extract, respectively).

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