Sürdürülebilir Kalkınma Amaçları
Yazarlar
- Gulcin, Ilhami(3)
- Yapici, Ismail(3)
- Zengin, Gokhan(3)
- Ak, Gunes(2)
- Dogan, Nurettin(2)
- Erharman, Ahmet(2)
- Gasic, Uros(2)
- Koyuncu, Ismail(2)
- Nikolic, Filip(2)
- Uba, Abdullahi Ibrahim(2)
- Yagi, Sakina(2)
- Acar, Mikail(1)
- Akgul, Bengusu H.(1)
- Balos, Mehmet Maruf(1)
- Beydemir, Sukru(1)
- Cetiz, Mehmet Veysi(1)
- Erdogan, Musa(1)
- Li, Meng-Yao(1)
- Lucini, Luigi(1)
- Muglu, Halit(1)
- Salehi, Hajar(1)
- Salwa, Kinga(1)
- Swiatek, Lukasz(1)
- Terzic, Milena(1)
- Topal, Fevzi(1)
- Topal, Meryem(1)
- Turkes, Cuneyt(1)
- Yakan, Hasan(1)
- Yildiztugay, Evren(1)
Yayınlar
- MakaleAçık Erişim2026A 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 Erişim2026Chemical 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.
- MakaleAçık Erişim2026Beyond 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.
- MakaleYayıncıda açık erişim2024Novel asymmetric biscarbothioamides as Alzheimer's disease associated cholinesterase inhibitors: synthesis, biological activity, and molecular docking studies
Muglu, Halit; Yakan, Hasan; Erdogan, Musa; Topal, Fevzi; Topal, Meryem; Turkes, Cuneyt; Beydemir, Sukru
Exploring novel frameworks for treating Alzheimer's disease is an ambitious objective. In this particular context, a range of asymmetric biscarbothioamide derivatives (3a-l) with varying substitutions have been meticulously designed and effectively synthesized. The newly synthesized compounds have all been definitively characterized using established spectroscopic techniques such as 1H-NMR, 13C-NMR, FT-IR, and elemental analysis. In vitro, all the derivatives (3a-l) were evaluated to assess their inhibitory potential against cholinesterase enzymes (acetylcholinesterase, AChE, and butyrylcholinesterase, BChE). The outcomes demonstrated that these derivatives were potent and exhibited selectivity in inhibiting AChE, except for compounds 3b and 3e, which specifically inhibited BChE, showcasing varying degrees of KI values. Significantly, compounds 3j (KIs of 11.91 +/- 2.25 nM for AChE and 77.76 +/- 8.02 nM for BChE) and 3h (KIs of 14.73 +/- 2.30 nM for AChE and 59.54 +/- 6.20 nM for BChE) emerged as the most potent dual inhibitors of AChE and BChE within the series, respectively, with KI constants even lower than those of the standard drug tacrine (KIs of 68.70 +/- 5.39 nM for AChE and 111.60 +/- 10.52 nM for BChE). Furthermore, their potential scavenging activity against DPPH and ABTS radicals was evaluated. To further validate the experimental findings, molecular docking studies were performed in silico to ascertain the binding modes of these compounds with the active pockets of AChE and BChE enzymes. Investigating innovative frameworks for addressing Alzheimer's disease is a challenging goal. In this specific scenario, a selection of asymmetric biscarbothioamide derivatives (3a-l) with different substitutions has been carefully formulated and successfully synthesized.
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