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Anticancer potential of bellardia trixago quantum dots: Cytotoxic effects on various cancer cell lines
(Academic Press Inc., 2025) Aytar, Erdi Can; Sarı, Zeynep Betul; Sarı, Muhammet Emin; Durmaz, Alper; İncilay Torunoğlu, Emine; Gümrükçüoğlu, Abidin
This study investigates the synthesis, characterization, and anticancer effects of carbon quantum dots (CQDs) derived from Bellardia trixago. The CQDs were analyzed using Transmission Electron Microscopy (TEM), X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and X-ray Photoelectron Spectroscopy (XPS). TEM results revealed that the CQDs have a spherical morphology and exhibit a layered structure. XRD analysis showed a graphite-like crystalline structure, while FTIR and XPS studies confirmed the presence of OH, C[dbnd]C, and C[sbnd]O functional groups on the surface. The biological activity of CQDs demonstrated selective cytotoxicity, inducing significant cell death in cancer cells while exhibiting low toxicity in healthy cells. More pronounced morphological changes were observed in HEp-2 and SaOS-2 cells, while HEK-293 cells showed negligible changes. These findings suggest that quantum dots could serve as a potential alternative for cancer treatment.
Antimicrobial activity and molecular docking analysis of Salsola kali: investigating potent biological interactions and chemical composition
(Elsevier GmbH, 2024) Aytar, Erdi Can; Aydın, Betül; Torunoğlu, Emine İncilay; Durmaz, Alper
Introduction: This study investigates the antioxidant, phenolic, and antimicrobial properties of Salsola kali and examines the molecular binding interactions of its biologically active compounds with various proteins. Methods: Ethanol extract from the aerial parts of Salsola kali was analyzed for DPPH free radical scavenging activity, iron chelating activity, total phenolic content, and total flavonoid content. Antimicrobial activity was tested against several bacterial strains, and the active components of the extract were identified through chemical analysis. Molecular docking studies assessed the binding interactions of these compounds with different protein targets. Results: The ethanol extract exhibited strong antioxidant activity, with a DPPH IC50 value of 0.12 ± 0.02 ?g/mL and an iron chelating IC50 value of 3.96 ± 0.19 mg/ml. The total phenolic content was measured at 153.61 ± 5.41 mg GAE/g extract, while the total flavonoid content was 303.25 ± 12.68 mg QE/g extract. Significant antimicrobial activity was observed against E. coli (MIC = 25 ?g/ml) and S. aureus (MIC = 6.25 ?g/ml). The analysis identified 15 biologically active compounds, with 2-methoxy-1,3-dioxolane and Nonane, 3-methyl-5-propyl as the most abundant. Molecular docking studies revealed strong binding affinities with various proteins, with binding energies ranging from -4.9 to -6.7 kcal/mol. Conclusion: The phenolic and flavonoid content of S. kali indicates significant antioxidant and antimicrobial activities. The identified compounds show promising binding interactions with proteins, suggesting potential pharmacological applications.
Antioxidant and anti-urease activities of Cardamine bulbifera: Insights from molecular docking and density functional theory studies
(Elsevier GmbH, 2024) Torunoğlu, Emine İncilay; Aytar, Erdi Can; Aydın, Betül; Durmaz, Alper
Introduction: Cardamine bulbifera (L.) Crantz, commonly known as “Asian bittercress”, is a plant species widely distributed across Asia. It belongs to the Brassicaceae and has been traditionally used in medicinal applications. This study investigates the phytochemical composition, phenolic content, antioxidant properties, and anti-urease activity of C. bulbifera. Methods: In this study, the aerial parts of the C. bulbifera were collected. The total polyphenol content of the extracts was determined using spectrophotometric methods, and its antioxidant and anti-urease activities were assessed. The chemical composition was characterised using gas chromatography-mass spectroscopic (GC-MS) analysis. Additionally, molecular docking studies explored potential interactions between the identified compounds and Helicobacter pylori CagA oncoprotein. Furthermore, Density Functional Theory (DFT) analysis provided valuable insights into the electronic properties of the main compounds. Result: The total phenolic content of C. bulbifera extract was 225 ± 0.02 mg GAE/g extract DW, and the total flavonoid content was 62.64 ± 3.27 mg QE/g extract DW. The 2,2-Diphenyl-1-Picrylhydrazyl (DPPH) assay revealed an IC50 value of 1.01 ± 0.04 mg/mL, indicating significant antioxidant activity. The IC50 value for anti-urease activity was determined to be 2.74 ± 0.03 µg/mL, suggesting potent inhibition of urease enzyme activity. GC-MS analysis identified 15 bioactive compounds in the extract. Molecular docking studies highlighted Phenol, 3,5-bis(1,1-dimethylethyl) and 1-dodecanol as compounds with the highest binding affinity for the H. pylori CagA oncoprotein, suggesting potential therapeutic implications against H. pylori-related cancers. Additionally, DFT analysis emphasised these compounds' electronic properties and chemical reactivities, indicating their potential role in future pharmaceutical developments. Conclusion: C. bulbifera exhibits rich phenolic and flavonoid content and significant antioxidant and intense urease inhibition activities. These findings suggest that C. bulbifera may offer potential therapeutic options for conditions related to H. pylori infections, including cancer. Further research is needed to explore its mechanisms of action and clinical applications in more detail.
Antioxidant and preservative effects of epilobium angustifolium extract in beef burgers products: Physicochemical properties, color stability, lipid oxidation, and molecular docking analyses
(John Wiley and Sons Inc, 2025) Dilek, Nazik Meziyet; Gümrükçüoğlu, Abidin; Demirel, Gamze; Durmaz, Alper; İncilay Torunoğlu, Emine; Aytar, Erdi Can; Ünal, Kübra
Consumers are increasingly seeking natural alternatives to synthetic preservatives in meat products. This study evaluated the effects of willow E. angustifolium extract on beef burgers' physicochemical properties, color stability, and lipid oxidation during refrigerated storage. The extract demonstrated significant antioxidant activity, with a total phenolic content of 1263.48 mg GAE/L and a total flavonoid content of 278.43 mg CE/L. The pH values of the beef burgers decreased over time, with significant effects on Days 4 and 8 in the treated groups, except T1. The color properties, including lightness (L*), redness (a*), and yellowness (b*), were affected by the plant extract, with 1 g and 3 g concentrations leading to darker and redder hues. Moreover, adding 9 g extract led to discoloration due to increased b* values. Thiobarbituric acid-reactive substances analysis showed increased lipid oxidation, with the T3 group (9 g extract) exhibiting higher values, suggesting a prooxidant effect at higher concentrations. Gas chromatography–mass spectrometry analysis identified a range of phytochemicals, including α-pinene and β-thujone, which contributed to the complex, volatile profile of the extract. High-performance liquid chromatography analysis revealed the presence of significant phenolic compounds, such as ascorbic acid and gallic acid, with high antioxidant potential. Molecular docking studies indicated that gallic acid exhibited a moderate binding affinity with the target protein 9R-lipoxygenase (5EK8), followed by β-thujone and α-pinene, suggesting their potential as bioactive compounds in food preservation. The results provide insights into the functional potential of E. angustifolium extract as a natural antioxidant and preservative in meat products.
Antioxidant effects and fatty acid analysis of leucojum aestivum seed coat extracts
(Budapest University of Technology and Economics, 2024) İncedere Uysal, Demet; Çolak, Esin; Aytar, Erdi Can; Durmaz, Alper; Şentürk, Bengisu; Özdener Kömpe, Yasemin; İncilay Torunoğlu, Emine
The aim of this study is to analyze the biochemical composition and antioxidant activity of Leucojum aestivum seed coats. In the crude extract the total phenolic content was determined to be 129.55 ± 1.94 mg gallic acid equivalent (GAE)/g, while the total flavonoid content was found to be 210.21 ± 7.91 mg quercetin equivalent (QE)/g. Additionally, the total flavonol, tannin, and proanthocyanidin contents were determined to be 9.63 ± 5.16 mg QE/g, 3.32 ± 0.14 mg GAE/g, and 129.89 ± 6.10 mg catechin equivalent (CAE)/g, respectively. Furthermore, the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity showed a significant antioxidant potential with a concentration that results in 50% decrease in the initial DPPH concentration IC50 value of 214.97 ± 50.44 mg QE/g in the crude extract. GC/MS analysis revealed the presence of various biologically active compounds, including hexadecanoic acid, oleic acid, and stigmasterol. Moreover, galantamine and galathan were identified in the seed coat extracts. Fatty acid analysis indicated the presence of compounds such as linoleic acid, oleic acid, and palmitic acid. This comprehensive study provides a detailed examination of seed coats and highlights the presence of biologically active compounds such as galantamine. This finding represents a study conducted for the first time in the literature, as no similar research focusing on L. aestivum seed coats has been conducted previously. Therefore, the results of the study provide new insights into the potential biological and pharmacological effects of seed coats and offer significant findings that could serve as a basis for future research.
Antioxidant potential, selective cytotoxicity, and molecular docking insights of maresia nana methanol extract against A549 cancer cells
(John Wiley and Sons Inc, 2025) Demirel, Gamze; incilay Torunoğlu, Emine; Aytar, Erdi Can; Sarı, Zeynep Betul; Sarı, Muhammet Emin; Durmaz, Alper
In this study, the antioxidant activity, phenolic content, and cytotoxicity of the above-ground parts of Maresia nana were evaluated using various assays. Antioxidant activity was assessed using the DPPH radical scavenging test, yielding an IC₅₀ value of 90.55 ± 11.14 mg mL⁻¹. The total flavanol content of the extract was 0.41 ± 0.01 mg QE/g, the total flavonoid content was 29.26 ± 1.88 mg QE/g, and the total phenolic content was 29.76 ± 2.64 mg GAE/g, indicating significant antioxidant properties and richness in phytochemical compounds. Additionally, GC-MS analysis identified eight bioactive compounds in the methanol extract of M. nana. The extract demonstrated 58.50 ± 3.5% cytotoxicity in A549 cells at the highest dose, while it increased proliferation in HEK293 cells, indicating selective cytotoxicity toward cancer cells. Furthermore, the binding affinities and interactions of two small-molecule ligands, Acridin-1(2H)-one, 3,4-dihydro-3,3-dimethyl-9-propylamino- and Androsta-3,5-diene-3,17-diol diacetate, with the Ras protein were investigated. Acridin-1(2H)-one showed a binding energy of −5.1 kcal mol⁻¹, while Androsta-3,5-diene-3,17-diol diacetate demonstrated a stronger binding affinity with a binding energy of −5.5 kcal mol⁻¹. In conclusion, the M. nana extract's antioxidant and phenolic profiles support its potential health benefits, and its selective cytotoxic effects on cancer cells suggest its promise for cancer therapy. Additionally, the binding characteristics of the ligands provide valuable insights for future drug development strategies.
Antioxidant, antimicrobial, anticancer, and molecular docking insights into pancratium maritimum seeds and flowers: A phytochemical approach
(John Wiley and Sons Inc, 2025) Ertuğrul, Muhammed Sait; Balpınar, Özge; Aytar, Erdi Can; Aydın, Betül; İncilay Torunoglu, Emine; Durmaz, Alper; Rossato Viana, Altevir
This study investigates the antioxidant, antimicrobial, and anticancer properties of Pancratium maritimum L. in Sp. Pl.: 291 (1753) seeds and flowers. Antioxidant activity was assessed using DPPH free radical scavenging and iron chelation assays. Antimicrobial evaluations assessed the efficacy of the extracts against diverse microorganisms. Cell viability assays were conducted on the dukes c colon cancer (SW480), while gas chromatography-mass spectrometry (GC-MS) analysis facilitated the identification of bioactive compounds. The ethanol extract of P. maritimum seeds exhibited a total phenolic content of 296.89±14.53 mg GAE/g extract DW and a total flavonoid content of 361.03±20.18 mg QE/g extract DW. Conversely, the flower extract showed a total phenolic content of 95.03±7.22 mg GAE/g extract DW and a total flavonoid content of 272.12±16.42 mg QE/g extract DW. As a result, the ethanol extract of P. maritimum seeds contains higher phenolic and flavonoid contents than the flower extract. Antimicrobial evaluations demonstrated significant inhibitory effects of both seed and flower extracts, with minimum inhibitory concentration (MIC) values ranging from 25 to >50 mg/mL. Notably, the seed extract showed greater activity against E. coli and C. krusei. GC-MS analysis identified 18 bioactive compounds in the seed extract and 16 in the flower extract, with crucial components including ethyl oleate and 5-hydroxymethylfurfural. Additionally, cell viability assays revealed that ethanol extracts from seeds and flowers significantly reduced SW480 cell viability, particularly at doses of 750 μg/mL and 250 μg/mL, respectively. These findings underscore the therapeutic potential of P. maritimum in terms of its antioxidant, antimicrobial, and anticancer properties, highlighting its value as a natural source of antioxidants and antimicrobial agents. Furthermore, the molecular docking study emphasises strong binding interactions of key compounds, particularly ethyl oleate and hexadecanoic acid ethyl ester, with the human STARD10 protein. The biological interactions and health implications of P. maritimum provide a significant foundation for future research in drug development and therapeutic applications.
Arenaria serpyllifolia as a natural antiviolaceum agent: Phytochemical, biological, and molecular approaches
(John Wiley and Sons Inc, 2025) Külahcı, Meryem Burcu; Aydın, Betül; İncilay Torunoğlu, Emine; Düzgün, Zekeriya; Durmaz, Alper; Aytar, Erdi Can
This study investigates the antioxidant, antimicrobial, antibiofilm, and antiquorum sensing activities of Arenaria serpyllifolia extract. A methanolic extract from the plant's above-ground parts is prepared via maceration. The extract exhibits strong antioxidant properties (DPPH IC50: 355.54 ± 20.62 μg mL−1) and iron chelating ability (IC50: 5.30 ± 4.44 mg mL−1). Total flavonoid and phenolic contents are 75.15 ± 2.73 mg quercetin equivalent g−1 and 150.83 ± 11.24 mg gallic acid equivalent g−1, respectively. Antimicrobial tests show notable activity against Chromobacterium violaceum (minimal inhibitory concentration (MIC) < 5 mg mL−1). Antibiofilm effects are significant with 82.52% and 81.32% inhibition at MIC and sub-MIC levels. The extract also inhibits violacein production in the C. violaceum CV12472 strain (90.76% at MIC). Gas chromatography-mass spectrometry analysis identifies seven major compounds, including allyl isothiocyanate and levoglucosan. Molecular docking reveals levoglucosan as the most potent CviR receptor binder (−6.8 kcal mol−1). These interactions suggest possible quorum sensing inhibition via antagonism. Molecular dynamics simulations confirm the stability of the ligand–receptor complexes, highlighting guanosine and levoglucosan as promising leads for drug development.
Assessing the chemical profile and biological potentials of Tamarix smyrnensis flower extracts using different solvents by in vitro, in silico, and network methodologies
(Public Library of Science, 2025) Aytar, Erdi Can; Torunoğlu, Emine İncilay; Gümrükçüoğlu, Abidin; Al-Farraj, Saleh; Durmaz, Alper; Sillanpää, Mika
This study evaluated the antioxidant properties, phytochemical content, and protein interactions of Tamarix smyrnensis flower extracts prepared with different solvents (methanol, ethanol, ethyl acetate). The antioxidant activities were assessed using the DPPH, metal chelation, and CUPRAC assays. Ethanol extracts exhibited the strongest radical scavenging activity (IC₅₀=25.15 µg/mL), while methanol extracts showed superior metal chelation (49.84mg/mL) and reducing power (IC₅₀=35.95 µg/mL). HPLC analysis identified key bioactive compounds, with p-coumaric acid, catechin, and gallic acid being the most abundant phenolics and flavonoids across the extracts. Methanol extracts were rich in 4-hydroxybenzoic acid (2253.9mg/L) and catechin (6974.4mg/L). Molecular interaction predictions using the STITCH database revealed that phenolic compounds such as 4-hydroxybenzoic acid, catechin, and p-coumaric acid have significant interactions with proteins involved in antioxidant defence, including COQ2 and HMOX1. STRING-based protein–protein interaction (PPI) analysis further highlighted a network of proteins involved in mitochondrial function and oxidative stress response, suggesting that T. smyrnensis phenolics could modulate these pathways. Molecular docking studies confirmed that chlorogenic acid and catechin showed strong binding affinities with the antioxidant-related protein PTGS2, indicating their potential as therapeutic agents. The findings emphasise the significant antioxidant potential of T. smyrnensis flower extracts, driven by their rich phytochemical content and promising bioactivity, offering a foundation for future therapeutic applications targeting oxidative stress-related diseases.
Chemical characterization of the seed coats of orchids from the subfamily orchidaceae: A micromorphological approach using FT-IR spectroscopy
(Pleiades Publishing, 2024) Aytar, Erdi Can; Durmaz, Alper; Basılı, Taşkın; Şentürk, Bengisu; Harzli, İnes; Çökmez, Buse; Özdener Kömpe, Yasemin
Abstract: Orchids are among the plant species facing the most severe threat of extinction worldwide. A better understanding of the morphological and chemical structures of their seeds would contribute to addressing the challenges encountered during seed germination and, consequently, developing more effective conservation strategies. This study conducted morphometric and FTIR chemical analyses on the seeds of Anacamptis morio (L.) R.M. Bateman, Pridgeon & M.W. Chase, Anacamptis sancta (L.) R.M. Bateman, Pridgeon & M.W. Chase, Neotinea maculata (Desf.) Stearn, Neotinea tridentata (Scop.) R.M. Bateman, Pridgeon & M.W. Chase, Orchis anatolica Boiss, and Orchis italica Poir. When evaluating the morphometric measurements of the seeds, it was observed that the genera showed distinct differences, while species belonging to the same genus clustered together. Parameters such as seed size, embryo size, and cavity percentage had a positive impact on this differentiation. The similarity of the analysed species’ FTIR spectra confirms their belonging to the same family. However, the secondary order FTIR spectra clearly revealed variations in absorbance values, highlighting differences between genera and species. It was observed that species belonging to the orchid genus and the genus Anacamptis exhibited similarities among themselves, whereas N. tridentata showed distinct differences from other species. Principal Component Analysis (PCA) based on FTIR results further supported these findings.
Chemical composition and antioxidant potential of aristolochia maurorum abovegroud extract: Phenolic and phytochemical analysis
(2024) Torunoğlu, Emine İncilay; Aytar, Erdi Can; Durmaz, Alper; Aydın, Betül; Çolak, Ayşen Melda
The aim of this study is to evaluate the antioxidant activity, chemical composition, phenolic components, and fatty acid content of extracts obtained from the aerial parts of Aristolochia maurorum. The abovegroud of A. maurorum were collected from remote areas in Havza and Kavak districts of Samsun province, Turkey. The plants were dried, powdered, and extracted with methanol. The total phenolic contents, total flavonoid contents, total tannin contents, and total proanthocyanidin contents of the extracts were determined using spectrophotometric methods. Additionally, DPPH free radical scavenging activity was measured. The fatty acid contents were analyzed using gas chromatography-mass spectrometry (GC-MS). The methanol extract of A. maurorum above-groud contains high levels of phenolic compounds and exhibits strong antioxidant activity. The total phenolic content of the extract was found to be 12.24 ± 0.91 mg GAE/g, total flavonoid content 27.45 ± 0.31 mg QE/g, total tannin content 28.41 ± 0.31 mg GAE/g, and total proanthocyanidin content 155.24 ± 32.20 mg CAE/g. The DPPH free radical scavenging activity showed an IC50 value of 506.29 ± 38.35 mg/mL. GC-MS analyses demonstrated that the extract contains various bioactive compounds, notably eicosane, which is reported to have antiinflammatory, analgesic, and antipyretic properties. In conclusion, extracts derived from the above-groud of A. maurorum are rich in phenolic compounds and exhibit high antioxidant activity. These findings may contribute to a better understanding of the potential therapeutic uses of A. maurorum and could aid in the development of future plant-based medicines.
Combined anticancer effects of Chamaecytisus hirsutus extract and photodynamic therapy in Gastric cancer cells
(Taylor and Francis Ltd., 2025) Çalışkan, Metin; Çalışkan, Serçin Özlem; İncilay Torunoğlu, Emine; Durmaz, Alper; Düzgün, Zekeriya; Aytar, Erdi Can
The particular plant found in Türkiye, Chamaecytisus hirsutus;(Fabaceae), has no studies examining its biological effects. Thus, the present study aimed to investigate the phytochemical composition, chemical profile, antioxidant activity, xanthine oxidase inhibition, anticancer effects, and photodynamic therapy potential of C. hirsutus methanol extract. Gas chromatography-mass spectrometry (GC-MS) analysis identified important compounds such as laminitol (28.74%), quinolinic acid (20.23%), and 2-(1,3-Dioxan-2-yl) ethanol (17.27%). The IC50 value of the extract in the DPPH assay was 378.77 ± 4.70 mg/mL, demonstrating significant antioxidant activity. The xanthine oxidase inhibition was found to be 45.75 ± 2.59%, indicating significant free radical scavenging activity. The total phenolic, flavonoid, flavanols, and tannin contents were determined to be 35.14 ± 2.60 mg GAE/g extract, 12.90 ± 0.27 mg QE/g extract, 20.67 ± 0.81 mg QE/g extract, and 2.49 ± 0.12 mg GAE/g extract, respectively. The extract reduced the viability of MKN28 cancer cells by approximately 85% at a concentration of 0.4 mg/mL, demonstrating significant anticancer activity. Combination therapy with photodynamic therapy further enhanced the cytotoxic effect. Additionally, the binding affinities of these compounds with the 1GUX target protein were evaluated using molecular docking, and 4-Methyl-2-pentadecyl-1,3-dioxolane and Laminitol were determined as the strongest inhibitors with binding energies of −6.9 kcal/mol and −6.1 kcal/mol, respectively. Molecular dynamics simulations confirmed the stability of these interactions, with 4-Methyl-2-pentadecyl-1,3-dioxolane emerging as the compound with the strongest binding affinity. These findings suggest that C. hirsutus extract has the potential to be a powerful anticancer agent when used in photodynamic therapy.
Comparison of seed morphology and seed coat chemistry in ophrys (orchidaceae) species
(American Chemical Society, 2024) Aytar, Erdi Can; Deniz, İsmail Gökhan; İncedere Uysal, Demet; Özdener Kömpe, Yasemin; Basılı, Taşkın; Harzli, İnes; Durmaz, Alper
Orchidaceae is the largest flowering plant family in the world and holds significant importance in terms of biological diversity. Many of the species are found in endemic regions, serving as important indicators for the conservation of biological diversity. Therefore, research on the morphology, seed and embryo structures, chemical composition, and taxonomy of orchids is crucial for species conservation, habitat restoration, and the sustainability of natural habitats. This research involves comparing the morphometric and chemical contents of seeds belonging to certain Ophrys L. species and examining interspecies relationships. The micromorphological features of the seeds were analyzed by using light microscopy and scanning electron microscopy (SEM), while their chemical contents were compared by using Fourier transform infrared spectroscopy (FT-IR) analysis. Seed and embryo morphology, morphometric analysis, and seed coat chemistry hold diagnostic significance. In species of the Ophrys genus, features like anticlinal wall structure and periclinal wall reticulation are considered weak taxonomic characters. FT-IR analysis identifies specific chemical groups in orchid samples, revealing significant differences in absorbance values and chemical compositions among the different orchid species. Particularly, Ophrys lycia (Lycian Kaş Orchid) shows distinct separation from closely related species at peak points such as 2917 and 2850, 1743, 1515, 1240, and 1031 cm-1. Common peak points in the fingerprint region (1200- 700 cm-1) indicate similarity between O. apifera and O. reinholdii subsp. reinholdii. O. ferrum-equinum, O. mammosa subsp. mammosa, O. fusca subsp. leucadica, O. reinholdii subsp. reinholdii, and O. iricolor exhibit similar absorbance values in the range of 1500-1000 cm-1. These results provide valuable preliminary information about the structure of orchid seed coats, reticulation presence and pattern, chemical profiles, distribution, and dormancy-germination processes.
Comprehensive phytochemical profiling and cytotoxic assessment of Caucasalia macrophylla coupled with in silico docking and miRNA (miR-19b, miR-20a, miR-126, miR-155, miR-200c)-Mediated gene regulation analysis
(Taylor and Francis Ltd., 2025) Sarı, Zeynep Betül; Sarı, Muhammet Emin; İncilay Torunoğlu, Emine; Durmaz, Alper; Gümrükçüoğlu, Abidin; Aytar, Erdi Can
This study aimed to identify the chemical constituents of the methanol extract of Caucasalia macrophylla using GC-MS and HPLC-DAD techniques. The cytotoxic activity was determined by the MTT assay using human breast adenocarcinoma cells (MDA-MB-231) and hTERT-immortalized mammary epithelial cells (hTERT-HME1). The half-maximal inhibitory concentration (IC₅₀) for MDA-MB-231 cells was found to be 1.2 mg/ml. This concentration inhibited cell proliferation in a concentration-dependent manner. In addition, the extract was tested using a miRNA Isolation Kit to assess the mRNA expression profiles in both MDA-MB-231 and hTERT-HME1 cell lines. In cancer cells (MDA-MB-231), the expression of miR-126 was significantly upregulated 2.2-fold, while miR-155 and miR-200c were significantly downregulated 0.3-fold and 0.4-fold respectively. In healthy cells (hTERT-HME1), the expression levels of miR-19b, miR-155, and miR-200c were also significantly reduced. Further a comprehensive molecular docking analysis was conducted against phosphoinositide 3-kinase (PI3K). Among the tested compounds, rutin exhibited the strongest binding affinity with a binding energy of − 9.1 kcal/mol. This compound demonstrated potential anticancer effects by modulating PI3K activity. The findings suggest that modulation of signaling pathways by natural compounds may represent a promising approach for development of novel cancer therapies.
Contribution of metabolic and physiological research for future conservation efforts of Himantoglossum Spreng. (Orchidaceae) species
(Elsevier GmbH, 2025) Aytar, Erdi Can; Durmaz, Alper; İncedere Uysal, Demet; Şentürk, Bengisu; Harzli, İnes; Basılı, Taşkın; Özdener Kömpe, Yasemin; Deniz, İsmail Gökhan
This study aimed to examine the morphological characteristics and chemical compositions of seeds from five Himantoglossum (Himantoglossum calcaratum (Beck) Schltr., Himantoglossum caprinum (M.Bieb.) Spreng., Himantoglossum comperianum (Steven) P.Delforge, Himantoglossum montis-tauri Kreutz & W.Lüders and Himantoglossum robertianum (Loisel.) P.Delforge) species. Himantoglossum Spreng. is a unique genus of orchids found mostly in Europe, North Africa, and western Asia. It includes around 9 recognised species, although this number may change with further research. These orchids typically grow in Mediterranean areas, favouring calcareous soils. They are often found in open woodlands, grasslands, and scrublands. Himantoglossum species are easily recognised by their large, uniquely shaped central petals (lip), which give the flowers a striking appearance. The flowers are usually a mix of purple, pink, and white colours designed to attract various pollinators. Key features of this genus include their long flower racemes and petals that twist or spiral, setting them apart from other orchids. Each species group consisted of fifty seeds, which underwent size, embryo dimensions, and chemical composition analyses. Chemical analyses were conducted to identify the characteristic chemical compounds in the studied Himantoglossum taxa and to compare these compounds with those found in closely related species. These analyses aim to provide a deeper understanding of the chemical profiles of each taxon, offering valuable data to clarify their phylogenetic relationships. By highlighting species-specific chemical markers, the study seeks to strengthen the taxonomic distinctions between species and contribute to a more precise and reliable classification within the genus. Infrared spectroscopy and GC-MS analysis were used for these analyses. The infrared spectroscopy results showed that seeds from Himantoglossum species exhibited overall similarities, but variations in absorbance values were observed at specific wavelengths. Notably, H. montis-tauri exhibited distinct characteristics compared to other species. Furthermore, GC-MS analyses revealed differences in chemical composition among the species. Each species contained specific chemical compounds, accounting for observed variations. H. robertianum contained unique compounds, such as methoxyacetic acid benzyl ester (0.25%), H. caprinum contained diethyl phthalate (0.75%), H. comperianum had trimethylsilyl methaneperoxoate (3.29%), hydrazinecarbothioamide (1.93%), 2-methyl eicosane (0.26%), cyclosativene (0.53%), and octadecenoic acid methyl ester (0.50%). Meanwhile, H. montis-tauri contained specific compounds, including dimethoxymethyl silane (2.34%), hydracrylic acid hydrazide (1.93%), β-longipinene (1.42%), and 3-butoxy-1,1,1,7,7,7-hexamethyl-3,5,5-tris(trimethylsiloxy)tetrasiloxane (0.58%). In conclusion, this study elucidates differences and similarities in seed morphology and chemical composition among Himantoglossum species. Findings from seed morphologies and chemical contents were used to interpret the distribution ecology of the species and the morphological differences used in their distinction. These findings contribute to understanding interspecies relationships and adaptations, highlighting the potential utility of Himantoglossum species' chemical profiles in species identification and taxonomic research.
Effects of Globularia cordifolia on colon cancer cells: antioxidant activity, inflammatory cytokine analysis and molecular docking studies
(John Wiley and Sons Ltd, 2024) Torunoglu, Emine İncilay; Aytar, Erdi Can; Aydın, Betül; Durmaz, Alper; Balpınar, Özge; Ertuğrul, Muhammed Sait; Yarım, Gül Fatma
BACKGROUND: The present study aimed to comprehensively evaluate the anticancer, anti-inflammatory, and antioxidant properties of Globularia cordifolia L. samples. The plant material was collected and extracted using the maceration method. Antioxidant activities were assessed through DPPH (i.e. 2,2-diphenyl-1-picrylhydrazyl) and iron chelation assays, whereas phenolic and flavonoid contents were measured using spectrophotometric methods. Gas chromatography-mass spectrometry analysis was performed to identify biologically active compounds. The cytotoxic effect on colon cancer cells was evaluated using MTT [i.e. 2,3-bis-(2-methoxy-4-nitro-5-sulfophenyl)-2H-tetrazolium-5-carboxanilide] assays, and inflammatory cytokine levels were measured through an enzyme-linked immunosorbent assay. Molecular docking studies investigated the interactions of bioactive compounds with the 4UYA protein, and ADME (i.e. absorption, distribution, metabolism, excretion and toxicity) modeling predicted their toxicity. RESULTS: The study revealed that the extract exhibited strong antioxidant activity with a median 50% inhibitory concentration (IC50) value of 39.48 ± 2.15 μg mL−1 in the DPPH assay and an effective iron chelation capacity with an IC50 value of 4.28 ± 0.19 mg mL−1. The total phenolic content was 662.51 ± 20.95 mg gallic acid equivalents g−1, and the flavonoid content was 114.99 ± 0.51 mg quercetin equivalents g−1, demonstrating the extract's richness in phenolic and flavonoid compounds. Significant antiproliferative effects were observed in colon cancer cells at a dose of 250 μg mL−1. Inflammatory cytokine analysis indicated a reduction in pro-inflammatory responses. Molecular docking studies showed strong binding affinities between the bioactive compounds and the 4UYA protein, suggesting the mechanisms of action. CONCLUSION: The findings indicate that G. cordifolia extract exhibits strong antioxidant, anti-inflammatory and antiproliferative properties, making it a promising biomolecular agent for colon cancer therapy. The high phenolic and flavonoid contents, combined with the bioactive compounds' interactions with key molecular targets, underscore its potential therapeutic applications.
Exploring the chemistry of coastal plant Achillea maritima: Clues to its antioxidant potential
(John Wiley and Sons Inc, 2025) Aydın, Betül; Aytar, Erdi Can; Durmaz, Alper
In this study, we investigated the potential applications of Achillea maritima by analyzing its chemical composition and biological activities. Fresh above ground parts of A. maritima were collected and processed to obtain an extract. Phytochemical analysis revealed high levels of total phenolic content (234.44 ± 6.05 mg GAE/g extract DW) and total flavonoid content (74.14 ± 4.59 mg QE/g extract DW). The antioxidant potential was assessed using DPPH free radical scavenging assay, with an IC50 value of 0.32 ± 0.01 mg/mL, and iron-chelating ability, with an IC50 value of 5.64 ± 0.33 mg/mL. Gas chromatography-mass spectrometry (GC-MS) analysis identified polyphenolic compounds and flavonoids as predominant constituents, with bis (methyl sulfonyl) methane being the major contributor to antioxidant properties. Additionally, three trace compounds were discovered for the first time in plants. Overall, A. maritima extract exhibited significant antioxidant potential, supported by its rich phenolic and flavonoid content, suggesting its potential value in pharmaceutical and other industries. These findings provide a basis for further exploration of A. maritima’s diverse applications.
Flow cytometry and gene expression modulation by euphorbia rigida Methanol extract in A549 lung cancer cells: Induction of apoptosis through bax, caspase-9, and bcl-2 pathways
(John Wiley and Sons Inc, 2025) Sarı, Zeynep Betül; Sarı, Muhammet Emin; Aytar, Erdi Can; Gümrükçüoğlu, Abidin; İncilay Torunoğlu, Emine; Özdemir Sancı, Tuba; Demirel, Gamze; Durmaz, Alper
Non-small cell lung cancer (NSCLC) remains a major cause of cancer-related mortality. This study investigates the cytotoxic effects of Euphorbia rigida extract on A549 NSCLC cells and its potential as a therapeutic agent. Cellular morphology was observed microscopically, and cell viability was evaluated using dose-dependent proliferation assays. Apoptosis-related gene expression—including Bax, Bcl-2, and Caspase-9—was analyzed via quantitative PCR (qPCR). Chromatographic methods identified bioactive flavonoids, and molecular docking assessed their binding to cancer-related proteins. Additionally, absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles were evaluated. The extract induced apoptotic morphological changes such as cell shrinkage and loss of intercellular contact. A dose-dependent reduction in A549 viability was observed, with an IC50 of 0.5 mg mL−1. Gene expression indicated activation of the intrinsic mitochondrial apoptotic pathway, with increased Bax and Caspase-9 and decreased Bcl-2 expression. Flow cytometry using Annexin V-allophycocyanin (V-APC) staining revealed selective cytotoxicity: significant apoptosis in A549 cells while preserving viability in BEAS-2B normal lung epithelial cells. Identified flavonoids included quercetin, apigenin, and myricetin, which showed strong binding affinities in docking studies. ADMET profiling supported their drug-likeness. These findings highlight E. rigida potential in NSCLC treatment via apoptosis induction and selective cytotoxicity.
Green technologies for plastic pollutant waste management
(CRC Press, 2024) Aytar, Erdi Can; Kahyaoğlu, İbrahim M.; Karakuş, Selcan; Durmaz, Alper
Plastic pollution is a worldwide issue that requires immediate attention as well as all-encompassing solutions. Environmental issues have arisen because of the extensive use of synthetic polymers that are not biodegradable. This summary explores the far-reaching effects of plastic pollution, from 396 million metric tons produced in 2018 to 8-12 million metric tons of plastic from land entering the ocean. Due to their chemical effects on biology, microplastics and nanoplastics are harmful to marine ecosystems and human health. Microplastics’ impact on human health is recognized as a significant worldwide environmental concern. Contamination in agriculture makes more study of the many effects on crop development and soil quality necessary. Potential solutions are investigated, including bioplastics, sustainable plastics, and waste management technologies, including waste-to-energy conversion and chemical recycling. Environmental bioremediation and nanotechnology show promise as solutions to the plastic pollution problem. This chapter underscores the need for interdisciplinary efforts, international collaboration, and sustainable practices to pave the way for a plastic-conscious future.
Immunomodulatory and skin-compatible effects of Amaranthus retroflexus volatile compounds: An in-silico network and pathway-based approach
(KEAI PUBLISHING LTD, 2025) Aytar, Erdi Can; Gümrükçüoğlu, Abidin; Torunoğlu, Emine İncilay; Al-Farraj, Saleh; Sillanpää, Mika
Background: This study investigated the phytochemical profile, in silico skin sensitization, cosmetic toxicity, and endocrine-disrupting potential of compounds from Amaranthus retroflexus identified through GC-MS analysis. Methods: Volatile constituents were identified using gas chromatography-mass spectrometry (GC-MS) analysis. The safety profiles of the major compounds were evaluated through in silico toxicity prediction models, including keratinosens, local lymph node assay (LLNA) and human cell line activation test (h-CLAT), along with molecular docking analysis to assess their endocrine-disrupting potential. Results: A total of 39 distinct compounds were identified, with a predominant presence of unsaturated fatty acid methyl esters, including 9,12-octadecenoic acid, methyl ester (47.275 %) and 9-octadecenoic acid, methyl ester (22.790 %). Other notable compounds included methyl stearate (3.063 %), Squalene (9.687 %), and various alkanes. In silico skin sensitization analysis demonstrated that all five key compounds, including hexadecenoic acid methyl ester, methyl stearate, and squalene, fell within the applicability domain of the predictive models. High predictive confidence was observed in both the KeratinoSens and LLNA models, whereas the h-CLAT model exhibited lower predictive reliability. Cosmetic toxicity predictions revealed moderate to high risks for skin and eye irritation, particularly with Squalene, but the compounds were considered safe regarding systemic toxicity and photo-related effects. Furthermore, endocrine-disrupting potential was evaluated via in silico binding affinity analysis, which revealed minimal interaction with nuclear receptors. Conclusion: These findings highlight the potential of the plant extract for dermatological applications, while emphasizing the need for further evaluation of its safety in topical use.

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