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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
- MakaleAçık Erişim2026Scopus SJRQ1Optimization of ultrasound-assisted extraction and biological activities of Crataegus monogyna Jacq. flowering branches using experimental design and artificial neural networks
Uysal, Sengul; Cvetanović Kljakić, Aleksandra; Lončar, Biljana; Zengin, Gokhan; Cakilcioglu, Ugur
Crataegus monogyna is widely used in traditional medicine due to its rich content of bioactive compounds. The present study aimed to evaluate the influence of extraction parameters, including solvent concentration, extraction time, temperature, and solid-to-liquid ratio, on total phenolics, total flavonoids, antioxidant DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS (2,2′-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid), FRAP (ferric reducing antioxidant power), and CUPRAC (cupric reducing antioxidant capacity)), and enzyme inhibitory properties (α-amylase and tyrosinase). Furthermore, an Artificial Neural Network (ANN) model was applied to optimize the extraction conditions. The results demonstrated that extraction conditions significantly affect both chemical composition and biological activity. The optimal conditions (70% ethanol, 30 min, 45 °C, (1 : 30)) yielded extracts with high total phenolic (109.15 mg GAE per g), and total flavonoid content (70.74 mg RE per g), strong antioxidant activity (DPPH: 473.57 mg TE per g, ABTS: 537.58 mg TE per g, CUPRAC: 407.11 mg TE per g, FRAP: 393.91 mg TE per g) and notable enzyme inhibitory potential (0.53 mmol ACAE per g against α-amylase and 75.00 mg KAE per g against tyrosinase). The ANN model showed excellent predictive performance, confirming its suitability for modeling and optimization of complex extraction systems. The present study provides comprehensive insights into optimized ultrasound-assisted extraction methods for the recovery of maximum bioactive compounds and biological activities (antioxidant and enzyme inhibition effect) from C. monogyna flowering branches using experimental design and ANN model. These findings provide a reliable basis for the development of functional and pharmaceutical products. This journal is
AtıfScopus1WoS1OpenAlex1
İncele - 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 Erişim2026Scopus SJRQ1Ajuga vestita Boiss: a “natural gold mine” for the design of novel nutraceuticals and phytopharmaceuticals
Cetiz, Mehmet Veysi; Zengin, Gokhan; Leyva-Jiménez, Francisco Javier; Fernández-Ochoa, Álvaro; de la Luz Cádiz-Gurrea, Maria; Custódio, Luísa; Rodrigues, Maria João; Pereira, Catarina G.; Lazarova, Irina; Balos, Mehmet Maruf
Members of the Ajuga genus are of significant interest due to their traditional applications in various countries, and have therefore been the subject of phytochemical research investigating their natural bioactive compounds. The aim of this study was to determine the chemical composition and biological activities of various Ajuga vestita extracts (ethyl acetate, ethanol, ethanol/water and water). The biological effects assessed included antioxidant, enzyme inhibition and cytotoxic activities. The extracts were chemically profiled using ultra-high-performance liquid chromatography – electrospray ionization – quadrupole time-of-flight mass spectrometry (UHPLC-ESI-QTOF-MS), which identified 121 compounds, including iridoids, flavonoids, and phenolic acids. The ethanol/water extract exhibited superior radical scavenging activity (2,2-Diphenyl-1-picrylhydrazyl (DPPH): 43.13 mg Trolox equivalent (TE)/g; 2,2-azino-bis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS): 45.37 mg TE/g) and reducing power (cupric reducing antioxidant capacity (CUPRAC): 103.43 mg TE/g; ferric reducing antioxidant power (FRAP): 45.29 mg TE/g). Regarding enzyme inhibition, the ethanol extract exhibited the greatest inhibition of acetylcholinesterase (AChE), butyrylcholinesterase (BChE), glucosidase, and tyrosinase, whereas the ethyl acetate extract was most effective against amylase. Regarding cytotoxicity, the ethyl acetate extract exhibited the strongest effect, significantly reducing cell viability in all cell lines and having a particularly strong impact on murine bone marrow stromal (S17) cells, with viability at 30.8 ± 2.7% at a concentration of 100 µg/mL. By contrast, the aqueous extract exhibited low cytotoxicity, maintaining high cell viability (over 94% at 50 µg/mL and over 74% at 100 µg/mL). Additionally, network pharmacology, molecular docking and molecular dynamics simulations were employed to investigate the multi-target mechanisms and binding stability of A. vestita phytochemicals. These findings provide new, detailed insights into A. vestita and suggest its potential as a raw material for developing health-promoting nutraceutical and pharmaceutical products.
- MakaleAçık Erişim2025Scopus SJRQ3Establishing a link between the chemical composition and biological activities of Gladiolus italicus Mill. from the Turkish flora utilizing in vitro, in silico and network pharmacological methodologies
Zengin, Gokhan; Cetiz, Mehmet Veysi; Abul, Nurgul; Gulcin, Ilhami; Caprioli, Giovanni; Piatti, Diletta; Ricciutelli, Massimo; Koyuncu, Ismail; Yuksekdag, Ozgur; Bahşi, Muammer
Objectives: Five solvent extracts (n-hexane, ethyl acetate, ethanol, ethanol/water (70%), and water) of Gladiolus italicus Mill. from Turkey were evaluated for chemical and biological properties. Methods: Antioxidant activities, inhibitory properties against key enzymes involved in the etiology of chronic diseases were tested, as well as cytotoxic effects on different cell lines. Chemical characterization was also carried out to determine the most abundant compounds of each extract. Results: The highest total phenolic content (TPC) was observed in the water extract while highest TFC in ethanol/water extract. The most abundant compounds in the extracts were hyperoside (69041.06 mg kg−1), isoquercitrin (46239.49 mg kg−1), delphindin-3,5-diglucoside (42043.81 mg kg−1), myricetin (21486.61 mg kg−1), and kaempferol-3-glucoside (21199.76 mg kg−1). Molecular dynamic (MD) simulations confirmed the structural stability and dynamic conformational integrity of these complexes over a period of 100 ns. In network pharmacology, A total of 657 unique target genes were screened: 52 associated with programmed cell death-1 (PD-1), 85 with vascular endothelial growth factor receptor-2 (VEGFR2), and 130 with fibroblast growth factor receptor-2 (FGFR2), identifying crucial gene interactions for these proteins. Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted, revealing significant interactions and pathways such as the advanced glycation end products (AGE) and their receptors (RAGE) signaling pathway in diabetic complications and T- helper 17 (Th17) cell differentiation, among others. This elucidation of complex networks involving key genes like AKT Serine/Threonine Kinase 1 (AKT1), MYC proto-oncogene (MYC), tumor protein 53 (TP53), Interleukin 6 (IL6), and tumor necrosis factor (TNF) provides a promising foundation for the development of targeted therapies in the treatment of non-communicable diseases. Conclusion: These results show that G. italicus could be a natural source of potent antioxidants and enzyme inhibitors which need to be further explored for the development of biopharmaceuticals.
AtıfScopus15OpenAlex13İncele - MakaleAçık Erişim2025Scopus SJRQ1Incorporating the HPLC-ESI-Q-TOF-MS profiles with the biochemical properties of eight Salvia species
Llorent-Martínez, Eulogio J.; Nilofar; Sinan, Kouadio Ibrahime; Darendelioglu, Ekrem; Bahsi, Muammer; Polat, Rıdvan; Cakilcioglu, Ugur; Orlando, Giustino; Ferrante, Claudio; Zengin, Gokhan
Salvia, a widely recognized genus globally esteemed for its traditional and medicinal applications, prompted our investigation into the methanol and water extracts of eight Salvia species native to Turkey. These species included S. aucheri, S. candidissima, S. divaricata, S. virgata, S. multicaulis, S. palestina, S. trichoclada, and S. cerino-pruinosa. Our study aimed to assess their biological properties and chemical composition. Utilizing HPLC-ESI-Q-TOF-MS, we identified chemical constituents in the extracts, while antioxidant (radical quenching, reducing power, and metal chelating) and enzyme inhibitory (amylase, glucosidase, tyrosinase, and cholinesterase) activities were evaluated for biological activities. One hundred thirty-one compounds were characterized in the tested extracts. Although many compounds belonging to different chemical families were identified, the main compounds in all the extracts were rosmarinic and sagerinic acids, along with several salvianolic acid isomers. Notably, the methanol extracts displayed superior antioxidant properties overall, with S. cerino-pruinosa exhibiting the highest activity among them, except for metal chelating. Similar to the antioxidant test results, the methanol extracts were more active than the water extracts in the enzyme inhibition tests. Multivariate analysis further highlighted the distinctiveness of the water extract of S. cerino-pruinosa. In conclusion, our findings underscore the biopharmaceutical potential of the tested Salvia species, suggesting their significance as sources of bioactive agents for health-promoting applications.
AtıfScopus17OpenAlex15İncele - MakaleAçık Erişim2025Scopus SJRQ2Chemical Characterization, Antioxidant and Enzyme-Inhibitory Activities of Different Extracts from Three Phlomis Species
Yagi, Sakina; Zengin, Gokhan; Cetiz, Mehmet Veysi; Cziáky, Zoltán; Jeko, József; Bahşi, Muammer; Çakılcıoğlu, Uğur; Turumtay, Halbay; Aktumsek, Abdurrahman
Phlomis species (family Lamiaceae) are highly valued as food and herbal medicine. The present study is designed to investigate the chemical composition and antioxidant and enzyme inhibitory activities of extracts from P. fruticosa, P. herba-venti, and P. kurdica aerial parts. Different classes of metabolites, including phenolic acids, phenylethanoids, flavonoids, iridoids, organic acids, terpenes, and fatty acids, are identified in the three species, with methanol as the best solvent to recover bioactive compounds from the three species in addition to ethyl acetate for P. kurdica. Around 70% methanol extract of P. herba-venti exerts the best radical scavenging and ions-reducing properties, while its methanol extract exhibits the highest acetylcholinesterase inhibitory activity. The ethyl acetate extract of P. fruticosa displays the best chelating power, and its other polar extracts have the highest total antioxidant activity. Furthermore, molecular docking and molecular dynamics simulations have underscored the therapeutic potential of bioactive compounds, including isoverbascoside, samioside, forsythoside B, and hattushoside. In conclusion, the study indicates that these three Phlomis species are a rich source of bioactive molecules with possible therapeutic applications, and the selection of appropriate extraction solvents is crucial for the targeted biological activity.
AtıfScopus23OpenAlex25İncele - MakaleAçık Erişim2025Scopus SJRQ2Exploration of UHPLC-ESI-QTOF-MS Profiles and the Neuroprotective, Antidiabetic, Antioxidant and Cytotoxic Effects of Extracts from Achillea maritima (L.) Ehrend. & Y.P.Guo (Asteraceae) Collected in Türkiye
Ahmed, Shakeel; Zengin, Gokhan; Fernández-Ochoa, Álvaro; de la Luz Cádiz-Gurrea, Maria; Leyva-Jiménez, Francisco Javier; Elkiran, Omer; Cakilcioglu, Ugur; Akgul, Bengusu H.; Pereira, Catarina G.; Custódio, Luísa
The current study investigated the chemical composition, antioxidant activity, enzyme inhibition, and cytotoxic activities of extracts from Achillea maritima, a wild medicinal plant used for various therapeutic purposes. The antioxidant activities were assayed through different assays like DPPH, ABTS, CUPRAC, FRAP, and phosphomolybdenum, whereas in enzyme inhibition studies, cholinesterase, tyrosinase, α-amylase, and α-glucosidase were assayed. Cytotoxicity studies are conducted on S17, RAW, and HepG2 to assess its selectivity and effectiveness. Chemical profiling by UHPLC-ESI-QTOF-MS revealed multiple bioactive compounds in the extracts. Polar solvents (ethanol, ethanol/water, and water) resulted in high concentrations of phenolic acids as well as chlorogenic and caffeoylquinic acids, as well as flavonoids like vicenin and apigenin. On the other, the nonpolar (hexane extract) was rich in octadecatrienoic acid hydroperoxy and hydroxyoctadecatrienic acid. Among these, the water extract contained the highest phenolic content of 32.26 mg GAE/g, while the ethyl acetate extract was the richest in flavonoids, with 7.83 mg RE/g. In the antioxidant studies, the water and ethanol/water extracts consistently display the most potent activities, thus indicating their significant free radical scavenging and metal chelation abilities. The studies on enzyme inhibitions showed remarkable BChE inhibitory activities of the ethanol extract in 12.50 mg GALAE/g, thus showing potential in managing disease conditions related to cholinesterase. Tyrosinase inhibition was significant by the ethanol extract, presenting 55.59 mg KAE/g. The ethyl acetate extract exhibited the most potent inhibitory activity against α-amylase with 0.66 mmol ACAE/g, while ethanol extract showed significant inhibition of α-glucosidase with 4.35 ACAE/g. Cytotoxicity results showed that the water extract was most effective against the HepG2 cancer cell line by reducing cell viability to 38.4% at high doses while preserving low toxicity against normal cells, as observed by high viability percentages in S17 and RAW cell lines. These results highlight the usefulness of A. maritima extracts in nutraceutical, pharmaceutical, and cosmeceutical applications.
AtıfScopus15İncele - MakaleAçık Erişim2025Scopus SJRQ1Exploring the anticancer potential of Dianthus orientalis in pancreatic cancer: A molecular and cellular study
Yildirim, Mehmet Aykut; Sevinc, Burak; Paydas, Samet; Karaselek, Mehmet Ali; Duran, Tugce; Kuccukturk, Serkan; Vatansev, Hakan; Cetiz, Mehmet Veysi; Caprioli, Giovanni; Acquaticci, Laura
Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal malignancies, characterized by limited therapeutic options and poor prognosis. This study investigated the anticancer effects of Dianthus orientalis extracts on pancreatic cancer cell lines (Panc-1 and BxPC-3) with a focus on apoptosis, invasion, and metastasis-related pathways. Chemical analysis using HPLC-MS/MS identified bioactive compounds (vanillic acid, syringic acid, p-coumaric acid, quercetin, hyperoxide) known for their anticancer properties. The Inhibitory Concentration 50 (IC50) value, which is half maximal inhibitory concentration of cancer cells, was determined to be 250 μg/mL at 48 h, and significantly induced apoptosis by decreasing anti-apoptotic gene expressions (Bcl-XL and Bcl-2) and increasing pro-apoptotic gene expressions (Casp3 and Bax) particularly in the Panc-1 cell line. Flow cytometric analysis revealed approximately 55% apoptosis in both cell lines. Molecular docking and dynamics analyses demonstrated strong binding affinities of quercetin and hyperoxide with important cancer-related proteins, including CHEK2 and PALB2. Gene expression analysis demonstrated the upregulation of pro-apoptotic markers like Bax and Casp3, and selective modulation of metastasis-related genes such as SNAI1, PALB2, and CHEK2. The findings highlight the potential of D. orientalis to modulate DNA repair mechanisms and epithelial-mesenchymal transition (EMT) pathways. Furthermore, network pharmacology and in silico tools corroborated its interactions with critical signaling pathways in cancer progression, including PI3K-Akt and MAPK. The study provides the first comprehensive evidence of D. orientalis's antiproliferative through apoptosis induction on pancreatic cancer cell lines, laying the groundwork for future therapeutic applications.
AtıfScopus19İncele - MakaleAçık Erişim2024Scopus SJRQ3Exploring Sorbus torminalis Leaves: Unveiling a Promising Natural Resource for Diverse Chemical and Biological Applications
Ak, Gunes; Tüfekci, Enis Fuat; Mustafa, Ahmed M.; Caprioli, Giovanni; Altunoglu, Yasemin Celik; Baloglu, Mehmet Cengiz; Cakılcıoglu, Ugur; Polat, Rıdvan; Darendelioglu, Ekrem; Zengin, Gokhan
Sorbus torminalis (L.) Crantz has a rich history of versatile applications spanning the fields of medicine and nutrition. It is noteworthy that the decoction obtained from S. torminalis leaves is a traditional treatment method against both diabetes and stomach disorders. Phytochemical profiling determined by HPLC/MS-MS. The effects of the extracts on cell viability were investigated using the MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) method against MDA-MB-231 cell line (human breast adenocarcinoma).The ethanol/water extract contained more concentration of total phenolic (91.41 mg gallic acid (GAE) equivalent /gr) and flavanoid (29.10 mg rutin (RE) equivalent/gr) in the tested extract (p<0.05). Resulting of HPLC analysis, the chemical constituents varied depending on the solvents and chlorogenic acid, hyperoside, isoquercetin, delphindin-3,5-diglucoside, procyanidin B2, epicatechin, neochlorogenic acid, 3,5-dicaffeoylquinic acid were identified in all extracts. Overall, ethanol, n-hexane and ethyl acetate extracts showed the highest inhibition for the tyrosinase enzyme. The effect of leaf extracts of S. torminalis on antimicrobial, biofilm inhibitory, and anticancer activities was examined. Based on outcomes of our study recognize this plant as a critical source of medically active chemicals for feasible phytopharmaceutical and nutraceutical applications, providing the first scientific insight into the detailed biological and chemical profiles of S. torminalis.
AtıfScopus7OpenAlex5İncele - MakaleYalnız künye2024Scopus SJRQ3Assessing the Chemical Composition, Antioxidant and enzyme Inhibitory Effects of Pentapleura subulifera and Cyclotrichium glabrescens Extracts
Nilofar, Nilofar; Zengin, Gokhan; Acar, Mikail; Bouyayha, Abdelhakim; Youssra, Aalilou; Eldahshan, Omayma; Fayez, Shaimaa; Fahmy, Nouran
The Lamiaceae family, encompassing diverse plant species, holds significant value in food, medicine, and cosmetics. Within this family, Pentapleura subulifera and Cyclotrichium glabrescens, relatively unexplored species, were investigated for their chemical composition, antioxidant capacity, and enzyme-inhibiting effects. The chemical composition of hexane, methanolic, and aqueous extracts from P. subulifera and C. glabrescens were analyzed using LC-ESI-MS/MS and the non-polar hexane fraction was investigated via GC-MS. The antioxidant potential of the extracts was determined through radical scavenging, reducing power and metal chelating assays. Additionally, inhibitory activity against six enzymes – acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase – was examined. The aqueous extract of P. subulifera and the methanolic extract of C. glabrescens exhibited elevated phenolic content at 129.47 mg gallic acid equivalent (GAE)/g and 55.97 mg GAE/g, respectively. Chemical profiling of the constituents of the two plant species resulted in the identification of a total of twenty compounds. The majority of which belonged to flavonoids and quinic acid derivatives, primarily concentrated in the methanol and aqueous extracts. Among all antioxidant assays, the aqueous extracts of P. subulifera demonstrated superior antioxidant activity, with the highest recorded activity of 404.93 mg trolox equivalent (TE)/g in the cupric reducing antioxidant capacity (CUPRAC) test. Meanwhile, the hexane extract of C. glabrescens exhibited the highest AChE inhibitory activity at 2.71 mg galanthamine equivalent (GALAE)/g, followed by the methanol extract of P. subulifera at 2.41 mg GALAE/g. These findings unequivocally establish the notable antioxidant and enzyme inhibitory activity of P. subulifera and C. glabrescens extracts, underscoring their potential as a source of valuable natural antioxidants.
AtıfScopus15OpenAlex14İncele - MakaleYalnız künye2024Scopus SJRQ2Uncovering chemical profiles, biological potentials, and protection effect against ECM destruction in H2O2-treated HDF cells of the extracts of Stachys tundjeliensis
Kurt-Celep, Inci; Zheleva-Dimitrova, Dimitrina; Sinan, Kouadio Ibrahime; Uba, Abdullahi Ibrahim; Nilofar; Mahomoodally, Mohamad Fawzi; Aumeeruddy, Muhammad Zakariyyah; Cakilcioglu, Ugur; Dall'Acqua, Stefano; Zengin, Gokhan
The genus Stachys L., one of the largest genera of the Lamiaceae family, is highly represented in Turkey. This study was conducted to determine the bio-pharmaceutical potential and phenolic contents of six different extracts from aerial parts of Stachys tundjeliensis. The obtained results showed that the ethanol extract exhibited the highest antioxidant activity in the antioxidant assays. Meanwhile, the ethanol extract displayed strong inhibitory activity against α-tyrosinase, the dichloromethane extract exhibited potent inhibition against butyrylcholinesterase, and the n-hexane extract against α-amylase. Based on ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry analysis, more than 90 secondary metabolites, including hydroxybenzoic acid, hydroxycinnamic acid, and their glycosides, acylquinic acids, phenylethanoid glycosides, and various flavonoids were identified or tentatively annotated in the studied S. tundjeliensis extracts. It was observed that the application of S. tundjeliensis eliminated H2O2-induced oxidative stress. It was determined that protein levels of phospho-nuclear factor kappa B (NF-κB), receptor for advanced glycation endproducts, and activator protein-1, which are activated in the nucleus, decreased, and the synthesis of matrix metalloproteinase (MMP)-2 and MMP-9 also decreased to basal levels. Overall, these findings suggest that S. tundjeliensis contains diverse bioactive compounds for the development of nutraceuticals or functional foods with potent biological properties.
AtıfScopus12OpenAlex12İncele - MakaleAçık Erişim2024Scopus SJRQ1Integrating chemical analysis with in vitro, in silico, and network pharmacology to discover potential functional compounds from Marrubium astracanicum subsp. macrodon
Avşar, Ömer Kaan; Kasbolat, Sevgi; Ak, Gunes; Nilofar; Caprioli, Giovanni; Santanatoglia, Agnese; Uysal, Ahmet; Uba, Abdullahi Ibrahim; Ponniya, Sathish Kumar M.; Paksoy, Mehmet Yavuz
The members of the genus Marrubium are of great interest because they contain biologically active compounds. With in this mind, we aimed to examine the chemical profiles and biological activities (antioxidant, enzyme inhibition and antimicrobial effects) of different extracts of Marrubium astracanicum subsp. macrodon. Extractions of the plants were carried out with the solvent n-hexane, acetone, acetone/water (70 %), and water. The antioxidant activity of these extracts was evaluated through six different assays, namely 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), metal chelating ability (MCA), and phosphomolybdenum (PBD). Additionally, the inhibitory effects of these solvents on five enzymes acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, amylase, and glucosidase were investigated. The study detected 38 compounds in a plant, with the highest content in acetone and acetone/water extracts. The acetone/water extract demonstrated the highest antioxidant activity aligning with its superior total phenolic (51.9 mg gallic acid equivalent (GAE)/g) and flavonoid (31.0 mg rutin equivalent (RE)/g) content, highlighting a direct correlation between bioactive compound concentration and antioxidant potential across various assays. Regarding the enzyme inhibition activity, the acetone/water extract of this plant exhibited significant AChE inhibition measuring 2.5 mg galantamine equivalent (GALAE)/g and anti-glucosidase activity measuring 1.2 mmol acarbose equivalent (ACAE)/g. In antimicrobial evaluation, the acetone extract exhibited good antimicrobial activity against B. cereus at 0.2 mg/ml dose. In molecular docking analysis, delphinidin 3,5 diglucoside showed a good interaction with the active site of AChE active. Through the application of network pharmacology, an in-depth exploration was conducted to unravel the potential of compounds from M. astracanicum against Alzheimer's disease. The study specifically focused on identifying key targets within the Alzheimer's disease pathway, pinpointing crucial proteins such as Glycogen synthase kinase-3 (GSK3), Prostaglandin-endoperoxide synthase 2 (PTGS2), and Alzheimer's-associated amyloid precursor protein (APP). In summary, the plant can serve as a valuable ingredient in the production of functional products within the pharmaceutical, nutraceutical, and cosmeceutical applications.
AtıfScopus4OpenAlex4İncele - MakaleAçık Erişim2024Scopus SJRQ2Cytotoxic, antioxidant, and enzyme inhibitory activities of Centaurea stapfiana extracts and their HPLC-ESI-QTOF-MS profiles: Insights into an unexplored Centaurea species
Zengin, Gokhan; Fernández-Ochoa, Álvaro; de la Luz Cádiz-Gurrea, María; Jiménez, Francisco-Javier Leyva; Uba, Abdullahi Ibrahim; Ak, Gunes; Soomro, Sanam Iram; Balos, Maruf; Cakilcioglu, Ugur; Rodrigues, Maria João
The members of the genus Centaurea have a great interest in pharmaceutical and nutraceutical fields due to their biological potential. Based on this information, we aimed to evaluate the biological properties (antioxidant, enzyme inhibition and cytotoxicity) and chemical profile of the extract of Centaurea stapfiana, an unstudied species. The highest total phenolic content was found in the ethanol/water extract with 32.17 mg GAE/g. A total of 102 of them were identified by HPLC-ESI-QTOF-MS analysis. These compounds were mainly hydroxybenzoic acid and hydroxycinnamic acid as well as flavonoids. In the antioxidant tests, the ethanol/water extract had the best free radical scavenging and reducing ability. However, in the enzyme inhibition test, the ethanol extract was the most active. The extracts were also tested on two tumour cell lines (RAW 264.7 and HepG2) and one non-tumour cell line (S17). The ethanol extract showed the promising effect on HepG2 (cell viability: 28.6 % at 50 g/ml). Furthermore, we examined the interactions between the compounds and enzymatic and cellular targets. A good interaction was found between quercetin-3-xylosyl-(1- > 6)-glucoside and iNOS. In summary, our results suggest that C. stapfiana can be considered as a versatile raw material for the development of health-promoting applications in the pharmaceutical and cosmeceutical fields.
AtıfScopus13OpenAlex14İncele - MakaleAçık Erişim2024Scopus SJRQ2Combining chemical profiles and biological abilities of different extracts from Tanacetum nitens (Boiss. & Noë) Grierson using network pharmacology
Dall'Acqua, Stefano; Yagi, Sakina; Sut, Stefania; Uba, Abdullahi Ibrahim; Ponniya, Sathish Kumar M.; Koyuncu, Ismail; Toprak, Kenan; Balos, Mehmet Maruf; Kaplan, Alevcan; Çakılcıoğlu, Uğur
Tanacetum nitens (Boiss. & Noë) Grierson is an aromatic perennial herb used in Turkish traditional medicine to treat headache, fever, and skin diseases. This study aimed to investigate the chemical composition, antioxidant, enzyme inhibition, and cytotoxic properties of T. nitens aerial parts. Organic solvent extracts were prepared by sequential maceration in hexane, dichloromethane, ethyl acetate, and methanol while aqueous extracts were obtained by maceration or infusion. Nuclear magnetic resonance (NMR) and LC-DAD-MS analysis allowed the identification and quantification of different phytoconstituents including parthenolide, tanacetol B, tatridin B, quinic acid derivatives, β-sitosterol, and glycoside derivatives of quercetin and luteolin. The type and amount of these phytochemicals recovered by each solvent were variable and significant enough to impact the biological activities of the plant. Methanolic and aqueous extracts displayed the highest scavenging and ions-reducing properties while the dichloromethane and ethyl acetate extracts exerted the best total antioxidant activity and metal chelating power. Results of enzyme inhibition activity showed that the hexane, ethyl acetate, and dichloromethane extracts had comparable anti-acetylcholinesterase activity and the latter extract revealed the highest anti-butyrylcholinesterase activity. The best α-amylase and α-glucosidase inhibition activities were obtained from the hexane extract. The dichloromethane and ethyl acetate extracts exhibited the highest cytotoxic effect against the prostate carcinoma DU-145 cells. In conclusion, these findings indicated that T. nitens can be a promising source of biomolecules with potential therapeutic applications.
AtıfScopus7OpenAlex7İncele - MakaleAçık Erişim2024Scopus SJRQ1Exploring Chemical Composition, Antioxidant, Enzyme Inhibitory and Cytotoxic Properties of Glaucium acutidentatum Hausskn. & Bornm. from Turkey Flora: A Novel Source of Bioactive Agents to Design Functional Applications
Yagi, Sakina; Zengin, Gokhan; Uba, Abdullahi Ibrahim; Maciejewska-Turska, Magdalena; Sieniawska, Elwira; Świątek, Łukasz; Rajtar, Barbara; Bahşi, Muammer; Guler, Osman; Dall’Acqua, Stefano
The present study was performed to determine the chemical constituents, cytotoxicity, antioxidant and enzyme inhibition activities of the aerial parts of Glaucium acutidentatum Hausskn. and Bornm. (family Papaveraceae). Methanolic and aqueous extracts were prepared by maceration, homogenizer-assisted extraction (HAE) and infusion. Results showed that the highest total phenolic and flavonoids contents were obtained from the methanol extracts obtained by HAE (53.22 ± 0.10 mg GAE/g) and maceration (30.28 ± 0.51 mg RE/g), respectively. The aporphine, beznyltetrahydroisoquinoline, and protopine types of Glaucium alkaloids have been tentatively identified. Among them, glaucine was identified in all extracts. Flavonoids, phenolic acids, coumarins, organic acids and fatty acids were also detected. Methanolic extract obtained using the HAE method displayed the highest anti-DPPH (41.42 ± 0.62 mg TE/g), total antioxidant (1.20 ± 0.17 mmol TE/g), Cu2+ (113.55 ± 6.44 mg TE/g), and Fe3+ (74.52 ± 4.74 mg TE/g) reducing properties. The aqueous extracts obtained by infusion and HAE methods exerted the best anti-ABTS (103.59 ± 1.49 mg TE/g) and chelating (19.81 ± 0.05 mg EDTAE/g) activities, respectively. Methanolic extract from HAE recorded the highest acetylcholinesterase (2.55 ± 0.10 mg GALAE/g) and α-amylase (0.51 ± 0.02 mmol ACAE/g) inhibition activities, while that obtained by maceration showed the best butyrylcholinesterase (3.76 ± 0.31 mg GALAE/g) inhibition activity. Both extracts revealed the best tyrosinase inhibitory activity (25.15 ± 1.00 and 26.79 ± 2.36 mg KAE/g, p ≥ 0.05). G. acutidentatum maceration-derived aqueous extract showed selective anticancer activity against cells originating from human hypopharyngeal carcinoma. In conclusion, these findings indicated that G. acutidentatum is a promising source of alkaloids and phenolic compounds for variable pharmaceutical formulations.
AtıfScopus13OpenAlex13İncele - MakaleAçık Erişim2024Scopus SJRQ1A broad-spectrum biological activities of Heracleum humile extracts: A first report of the antiviral, anti-cancer and chemical properties
Ocal, Mustafa; Duran Yelken, Selda; Altunoglu, Yasemin Celik; Baloglu, Mehmet Cengiz; Soomro, Sanam Iram; Zengin, Gokhan; Angeloni, Simone; Mustafa, Ahmed M.; Caprioli, Giovanni; Paksoy, Mehmet Yavuz
The current work focused on researching the bioactive potential of ethyl acetate (EA), methanol (MeOH), and water extract of H. humile plant, specifically ethyl acetate, methanol extracts were acquired with maceration method, and water extract was obtained by the infusion method. The highest total phenolic ingredient was determined in the water extract, while the highest total flavonoid ingredient was found in the MeOH extract. The water extract displayed the most potent antioxidant activity in the assays used. The ethyl acetate extract showed the highest enzyme inhibition activity in Butyrylcholinesterase inhibition (BChE) and amylase assay. Antibacterial efficiency was analyzed using microdilution analysis. The minimum inhibitory concentration (MIC) amounts ranged from 125 to 500 μg/mL except for water extract. The antiviral potential of the extracts was assessed against Bovine herpes virus 1 (BoHV-1) (Cooper strain). Methanol extract showed more potent antiviral effect. Selectivity indices were calculated for ethyl acetate and methanol extract as 3.32 and 13.39, respectively. All extracts displayed Deoxyribonucleic Acid (DNA) protection activity at approximately 25%–35%. For cell viability evaluation, 3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide (MTT) test was performed against triple-negative human breast adenocarcinoma cells (MDA-MB-231) and Michigan Cancer Foundation-7 (MCF-7) cells. The most effective results were found in ethyl acetate extract at 48h. The 50% inhibitor concentrations (IC50) were determined for MDA-MB-231 and MCF-7 as 116.7 μg/mL and 247.9 μg/mL, respectively. Based on the bioactive compound content results, extracts of H. humile include valuable compounds that possess significant biological properties. In conclusion, these extracts could offer promising novel plant-derived therapeutics.
- MakaleAçık Erişim2024Scopus SJRQ1Comprehensive metabolite and biological profile of “Sulmona Red Garlic” ecotype's aerial bulbils
Chiavaroli, Annalisa; Masciulli, Fabrizio; Ingallina, Cinzia; Mannina, Luisa; Maria Loreta, Libero; Di Simone, Simonetta Cristina; Acquaviva, Alessandra; Nilofar; Recinella, Lucia; Leone, Sheila
“Sulmona Red Garlic” is a well-known Italian traditional product. Bulbs, used for culinary purposes, have been largely investigated for their medicinal properties whereas aerial bulbils are usually removed as waste material. Here, for the first time, chemical composition and biological properties of the hydroalcoholic extract from aerial bulbils were investigated. Complementary information on metabolite composition were obtained using both NMR based untargeted and HPLC-DAD targeted methodologies. The NMR analysis revealed the presence of sugars, organic acids, amino acids, organosulphur compounds (methiin, alliin, allicin and cycloalliin), and other secondary metabolites. In particular, methiin and alliin were identified for the first time in the NMR spectra of aerial bulbil garlic extracts. Polyphenol content was determined by HPLC-DAD analysis: catechin, chlorogenic acid, and gallic acid turned out to be the most abundant phenolics. Hydroalcoholic extract blocked cell proliferation of colon cancer cell line HCT116 with an IC50 of 352.07 µg/mL, while it was non-toxic to myoblast cell line C2C12. In addition, it caused seedling germination reduction of two edible and herbaceous dicotyledon species, namely Cichorium intybus and C. endivia. Moreover, the same extract reduced the gene expression of TNF-α (tumor necrosis factor), HIF1-α (hypoxia-inducible factor), VEGFA (vascular endothelial growth factor), and transient receptor potential (TRP) M8 (TRPM8) indicating the ability to contrast cancer development through the angiogenic pathway. Final, in silico experiments were also carried out supporting the biological effects of organosulphur compounds, particularly alliin, which may directly interact with TRPM8. The results here reported suggest the potential use of garlic aerial bulbils often considered a waste product as a source in phytotherapeutic remedies.
AtıfScopus12OpenAlex13İncele - MakaleYalnız künye2024Scopus SJRQ3Analyzing the Chemical Constituents and In Vitro Biological Effects of Extracts Artemisia absinthium L. Extracts Obtained Using Different Methodologies and Solvents
Yagi, Sakina; Zengin, Gokhan; Ibrahime Sinan, Kouadio; Yavuz Paksoy, Mehmet; Cziáky, Zoltán; Jekő, József; Dall'Acqua, Stefano
The present study aimed to investigate the chemical constituents of different extracts from aerial parts of A. absinthium and to evaluate their antioxidant and enzyme inhibition activity. Extracts were prepared by maceration, infusion or Soxhlet techniques. Results showed that the highest total phenolic and flavonoids contents was recorded respectively from the hexane extract prepared by maceration and ethyl acetate extract obtained by Soxhlet method. The characteristic compounds of Artemisia species artemetin, casticin, sesartemin and yangambin in addition to coumarins were identified in all extracts. Aqueous extract obtained by infusion exerted the highest radical scavenging and ions reducing properties while that prepared by maceration displayed the highest chelating power. Methanol extracts obtained by the two methods of extraction exerted the highest anti-Tyr activity while that obtained by maceration showed the best α-glucosidase inhibition activity. These findings indicated that A. absinthium is a rich source of bioactive molecules with possible therapeutic applications.
AtıfScopus2OpenAlex3İncele - MakaleAçık Erişim2023Scopus SJRQ2Unraveling the chemical profile, antioxidant, enzyme inhibitory, cytotoxic potential of different extracts from Astragalus caraganae
Kurt-Celep, İnci; Zengin, Gokhan; Uba, Abdullahi I.; Caprioli, Giovanni; Mustafa, Ahmed M.; Angeloni, Simone; Cakilcioglu, Ugur; Guler, Osman; Kaplan, Alevcan; Sharmeen, Jugreet
Six extracts (water, ethanol, ethanol-water, ethyl acetate, dichloromethane, and n-hexane) of Astragalus caraganae were studied for their biological activities and bioactive contents. Based on high-performance liquid chromatography-mass spectrometry (HPLC-MS), the ethanol-water extract yielded the highest total bioactive content (4242.90 µg g−1), followed by the ethanol and water extracts (3721.24 and 3661.37 µg g−1, respectively), while the least total bioactive content was yielded by the hexane extract, followed by the dichloromethane and ethyl acetate extracts (47.44, 274.68, and 688.89 µg g−1, respectively). Rutin, p-coumaric, chlorogenic, isoquercitrin, and delphindin-3,5-diglucoside were among the major components. Unlike the dichloromethane extracts, all the other extracts showed radical scavenging ability in the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay (8.73–52.11 mg Trolox equivalent [TE]/g), while all extracts displayed scavenging property in the 2,2-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS) radical scavenging assay (16.18–282.74 mg TE/g). The extracts showed antiacetylcholinesterase (1.27–2.73 mg galantamine equivalent [GALAE]/g), antibutyrylcholinesterase (0.20–5.57 mg GALAE/g) and antityrosinase (9.37–63.56 mg kojic acid equivalent [KAE]/g) effects. The molecular mechanism of the H2O2-induced oxidative stress pathway was aimed to be elucidated by applying ethanol, ethanol/water and water extracts at 200 µg/mL concentration to human dermal cells (HDFs). A. caraganae in HDF cells had neither a cytotoxic nor genotoxic effect but could have a cytostatic effect in increasing concentrations. The findings have allowed a better insight into the pharmacological potential of the plant, with respect to their chemical entities and bioactive contents, as well as extraction solvents and their polarity.
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