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- MakaleAçık Erişim2026Scopus SJRQ1A 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; Nikolić, Filip; Gašić, Uroš; Acar, Mikail; Dogan, Nurettin; Koyuncu, Ismail; Yapıcı, 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.Genç, Kandemir & İ.Genç (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 α-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 μg mL−1) and II (IC50 = 19.59 μg 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 μg 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–PI3Kα, diosmetin–AKT1, and isorhamnetin–GSK-3β 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. This journal is
- DüzeltmeYayıncıda açık erişim2026Scopus SJRQ1Correction: Comprehensive Biological and Chemical Evaluation of Two Seseli Species (S. gummiferum and S. transcaucasicum) (Antioxidants, (2021), 10, 10, (1510), 10.3390/antiox10101510)
Zengin, Gokhan; Stojković, Dejan; Mahomoodally, Mohamad Fawzi; Jugreet, Bibi Sharmeen; Paksoy, Mehmet Yavuz; Ivanov, Marija; Gašić, Uroš; Gallo, Monica; Montesano, Domenico
In the original publication [1], there was a mistake in Figure 1 as published. The figure, as published, did not include the appropriate statistical information. We have revised the figure accordingly, and the corrected version of “Figure 1” is presented below. The authors state that the scientific conclusions are unaffected. This correction was approved by the Academic Editor. The original publication has also been updated.
- MakaleAçık Erişim2021Scopus SJRQ1Comprehensive biological and chemical evaluation of two seseli species (S. gummiferum and s. transcaucasicum)
Zengin, Gokhan; Stojković, Dejan; Mahomoodally, Mohamad Fawzi; Jugreet, Bibi Sharmeen; Paksoy, Mehmet Yavuz; Ivanov, Marija; Gašić, Uroš; Gallo, Monica; Montesano, Domenico
Seseli L. is one of the largest genera of the Apiaceae family widely known for their traditional uses as herbal remedies. In the present study, the methanolic and water extracts of two Seseli species, S. gummiferum and S. transcaucasicum were evaluated for their bioactive contents and biological activities. The total phenolic and flavonoid contents in the extracts ranged from 19.09 to 24.33 mg GAE/g and from 0.45 to10.09 mg RE/g, respectively. Moreover, while narcissin was detected as the most abundant component in the methanolic extract of S. transcaucasicum (261.40 µg/g), chlorogenic acid was identified as the major component in all the other extracts, although a high amount was also present in the methanolic S. transcaucasicum extract (107.48–243.12 µg/g). The total antioxidant capacity was also determined by the phosphomolybdenum assay (0.66–1.18 mM TE/g). Other antioxidant assays such as the radical scavenging assays (DPPH: 5.51–11.45 mg TE/g; ABTS: 43.46–51.91 mg TE/g), reducing assays (CUPRAC: 41.67–53.20 mg TE/g; FRAP: 31.26–34.14 mg TE/g), as well as the metal chelating activity assay (14.38–38.57 mg EDTAE/g) were conducted. All the extracts showed inhibitory potential against the enzyme’s amylase (0.12–0.78 mM ACAE/g), acetyl-and butyryl-cholinesterase (0.15–9.71 mg GALAE/g), while only the methanolic extracts acted as inhibitors of tyrosinase (107.15 and 109.37 mg KAE/g) and only the water extract of S. gummiferum displayed anti-glucosidase activity (0.13 mM ACAE/g). Interestingly, the methanolic extracts of both Seseli species showed lower cytotoxicity towards HaCaT cells (IC50: >500 µg/mL), compared to the water extracts (IC50: 267.8 and 321.41 µg/mL). Besides, only the methanolic extracts showed a slight wound healing effect (28.21 and 31.23%). All extracts showed antibacterial action against Staphylococcus lugdunensis (minimum inhibitory and bactericidal concentrations: 0.025–2 mg/mL). S. gummiferum methanolic extract, which exhibited the highest antibacterial potency was found to inhibit adhesion and invasion of S. lugdunensis to HaCaT cells as well. Taken together, this study demonstrated the two Seseli species to harbour interesting bioactive components, in particular polyphenolics and to exhibit several biological properties that could be further investigated for their potential exploitation as healing agents as supported by various traditional medicinal uses.
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