In silico molecular interaction analysis of phytochemicals extracted from Ornithogalum narbonense flowers DOI
Erdi Can Aytar, Emine İncilay Torunoğlu, Betül Aydın

и другие.

In Silico Pharmacology, Год журнала: 2024, Номер 12(2)

Опубликована: Ноя. 9, 2024

Язык: Английский

Investigation of Chemical Composition, Antioxidant Properties, and Molecular Docking in Different Roasting Stages of Coffee Beans DOI Creative Commons
Erdi Can Aytar, Betül Aydın

Food and Bioprocess Technology, Год журнала: 2024, Номер unknown

Опубликована: Авг. 5, 2024

Abstract This study investigates the chemical composition and antioxidant properties of coffee beans at different roasting stages, namely green coffee, filter-roasted espresso-roasted coffee. Using a Golden Roaster machine, specific profiles were developed to achieve distinct flavor characteristics: an intense balanced acidity for espresso, balanced, complex taste filter Results indicate that exhibits highest radical scavenging activity, as evidenced by its lowest IC 50 value 2,2-diphenyl-1-picrylhydrazyl (DPPH) inhibition. Green demonstrates superior iron chelation while contains flavonol content has flavonoid content. Bacterial sensitivity tests show both are effective against certain strains, including Klebsiella pneumoniae ATCC 13883. Gas chromatography-mass spectrometry (GC–MS) analysis identifies key compounds such caffeine 4,4-dimethyl-3-(3-methylbut-3-enylidene)-2-methylenebicyclo [4.1.0] heptane in 2-(2-hydroxyphenyl) buta-1,3-diene Molecular docking silico molecule’s absorption, distribution, metabolism, excretion, toxicity (ADME) studies suggest potential pharmaceutical applications compounds. These findings provide valuable insights into coffee’s chemistry health-related properties. Additionally, importance profiling bioprocesses is highlighted need carefully analyze process optimize biological effects health benefits these Coffee not only enhances consumer experiences but also contributes better understanding effectively identifying biomolecules nutrients use bioprocesses. Graphical

Язык: Английский

Процитировано

10

Effect of different carbon sources and concentrations on in vitro propagation of chestnut DOI Creative Commons
Burak Akyüz

Plant Cell Tissue and Organ Culture (PCTOC), Год журнала: 2025, Номер 160(2)

Опубликована: Янв. 21, 2025

Язык: Английский

Процитировано

1

Phytochemical, antioxidant, and antimicrobial properties of Bellardia trixago methanol and ethanol extracts: insights from ADMET and molecular docking approaches DOI Creative Commons
Erdi Can Aytar, Betül Aydın, Alper Durmaz

и другие.

Journal of Food Science and Technology, Год журнала: 2025, Номер unknown

Опубликована: Янв. 27, 2025

Язык: Английский

Процитировано

1

Antimicrobial Activity and Molecular Docking Analysis of Salsola kali: Investigating Potent Biological Interactions and Chemical Composition DOI
Erdi Can Aytar, Betül Aydın, Emine İncilay Torunoğlu

и другие.

Journal of Herbal Medicine, Год журнала: 2024, Номер unknown, С. 100942 - 100942

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

3

Revealing metabolite diversity in seeds of species belonging to Orchis and Anacamptis genus DOI Creative Commons
Erdi Can Aytar

International Journal of Secondary Metabolite, Год журнала: 2025, Номер 12(1), С. 69 - 96

Опубликована: Янв. 19, 2025

This study aims to compare the chemical compositions of methanol extracts from seeds 10 different species belonging Anacamptis and Orchis genera, highlighting significant differences among these species. Seeds collected various locations in Samsun, Muğla, İzmir during 2022 2023 were analyzed using GC-MS. The results revealed secondary metabolites both A. palustris seeds, hexadecanoic acid 2-hydroxy-1-(hydroxymethyl) ethyl ester was found at a rate 16.21%, while methyl stearate 11.14%. In contrast, O. purpurea contained 34.94% 8.69%. These findings indicate variability distribution compounds rare compound tricyclo [20.8.0.0(7,16)] triacontane, provincialis, contains tricyclic structures with 1(22),7(16)-diepoxy group, its potential role profile this Additionally, other like triacontane provincialis emphasize their roles profiles across is considered step towards understanding similarities biochemical components Orchis, thereby contributing plant physiological adaptations ecosystem dynamics. provide valuable insights for conservation strategies biological applications.

Язык: Английский

Процитировано

0

Zero‐Waste Production of Copper Nanoparticles and Activated Carbon from Erigeron canadensis L.: A Sustainable Approach for Environmental and Health Applications DOI
Erdi Can Aytar,

Taşkın Basılı,

Alper Durmaz

и другие.

ChemistrySelect, Год журнала: 2025, Номер 10(7)

Опубликована: Фев. 1, 2025

Abstract This study presents a novel, zero‐waste process for producing copper nanoparticles (CuNPs), activated carbons (ACs), and oil extract (OE) from plant Erigeron canadensis L. in Sp. Pl.: 863 (1753). method optimizes resource utilization eliminates waste, offering sustainable approach to green synthesis. The NPs were characterized using XRD, SEM, FTIR. Their effectiveness was evaluated through comparative studies on methylene blue removal, antioxidant capacity, antibacterial activity. prepared OE exhibited superior properties, particularly against Klebsiella pneumoniae subsp . ATCC 13883 (inhibition zone: 19 ± 0 mm) Proteus vulgaris RSKK 96029 18.7 0.6 mm). AC demonstrated exceptional dye adsorption efficiency, ranging 98.62% 99.50%. Antioxidant tests revealed that CuNPs possessed strong with an IC 50 of 0.023 0.002 mg/mL the DPPH radical scavenging test 0.41 0.07 iron chelation test. lower capacity (0.43 0.01) but significant iron‐chelating ability (41.94 1.06). In comparison, standard antioxidants EDTA BHT showed their respective tests. These experimental findings underscore potential this bio zero‐waste‐derived products environmental biomedical applications, highlighting its broad applicability.

Язык: Английский

Процитировано

0

Anticancer potential of Bellardia trixago quantum dots: Cytotoxic effects on various cancer cell lines DOI
Erdi Can Aytar, Zeynep Betül Sarı, Martha Sari

и другие.

Bioorganic Chemistry, Год журнала: 2025, Номер unknown, С. 108340 - 108340

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

0

Investigation of biological interactions in Euphorbia rigida extract using molecular docking DOI Creative Commons
Emine İncilay Torunoğlu, Turan Akdağ

International Journal of Secondary Metabolite, Год журнала: 2025, Номер 12(2), С. 271 - 288

Опубликована: Март 19, 2025

In this study, the antioxidant activity, phenolic content, and antimicrobial properties of Euphorbia rigida aerial parts methanol extract were investigated. The demonstrated significant activity with a DPPH radical scavenging IC50 value 919.46 µg/mL. iron chelating was characterised by an 4.24 mg/mL, total content measured at 11.96 mg GAE/g DW flavonoid 26.83 QE/g DW. evaluation compared E. to standard drugs such as Ampicillin, Chloramphenicol, Ketoconazole. minimum inhibitory concentration (MIC) bactericidal (MBC) values ranged from 12.5 mg/mL >50 mg/mL. exhibited strong antibacterial effects MIC MBC 25 for coli B. cereus. Additionally, while some antifungal observed against C. albicans, it less effective than GG-MS analysis identified Guanosine most abundant compound in extract, accounting 35.78% area. Molecular docking studies phosphatidylinositol-specific phospholipase C showed that had strongest binding affinity energy -5.0 kcal/mol, forming multiple interactions. Neophytadiene Dihydroxyacetone weaker affinities fewer Toxicity assessments indicated low toxicity extract's components, LD50 2200 mg/kg Dihydroxyacetone, 13 Guanosine, 500 Neophytadiene. summary, study sought elucidate potential biological interactions extract.

Язык: Английский

Процитировано

0

Molecular docking targeting biofilm and quorum sensing modulation: antimicrobial potential of Salsola tragus DOI
Meryem Burcu Külahcı,

Betül Aydın,

Erdi Can Aytar

и другие.

Brazilian Journal of Microbiology, Год журнала: 2025, Номер unknown

Опубликована: Май 13, 2025

Язык: Английский

Процитировано

0

Quantum Insights Into Fatty Acids, Antioxidant Mechanisms, and Molecular Docking Studies in Anacamptis papilionacea DOI

Taşkın Basılı,

Erdi Can Aytar, Mayker Lázaro Dantas Miranda

и другие.

Lipids, Год журнала: 2025, Номер unknown

Опубликована: Май 19, 2025

ABSTRACT This study examines the antioxidant activities, fatty acid composition, cytotoxicity predictions, and endocrine‐disrupting potential of metabolites from orchid methanolic‐flower extracts. In silico analyses, including molecular docking, NCI‐RDG, FMO, ELF, LOL, MEP mapping, were conducted to explore noncovalent interactions, electronic properties, reactivity, charge distribution key metabolites, providing insights into their bioactivity mechanisms action. Antioxidant activity, evaluated via DPPH assay, showed an IC 50 value 12.83 mg/mL for methanolic extract, outperforming positive control (BHT, = 18.00 mg/mL). High flavonoid content, expressed as quercetin equivalents, confirmed presence bioactive compounds, gallic acid. The (FA) profile Anacamptis papilionacea fixed oil, analyzed by GC–MS, revealed palmitic acid, α‐linolenic 8,11,14‐eicosatrienoic docosahexaenoic dominant FAs, constituting 79.47% total oil. Molecular docking strong binding interactions these FAs with human glucocorticoid receptor. Cytotoxicity predictions indicated promising activity against melanoma lung carcinoma cells, particularly Endocrine‐disrupting was through 14 nuclear receptors, showing varying affinities, estrogen, androgen, receptors. These findings highlight therapeutic A. emphasizing antioxidant, cytotoxic, receptor‐binding capabilities. Further experimental studies are warranted clinical validation.

Язык: Английский

Процитировано

0