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Öğe In vitro cytotoxic effects, in silico studies, some metabolic enzymes inhibition, and vibrational spectral analysis of novel ?-amino alcohol compounds(Elsevier, 2023/2/5) Tas, Ayca; Tüzün,Burak; Khalilov, Ali N; Taslimi, Parham; Agbektas, Tugba; Keklikcioglu Cakmak, NeseIn this study, an efficient single-step method for the preparation of β-amino alcohols ( 1 –3 ) in aqueous media was applied. The aim was to investigate the cytotoxic activity of Compounds 1, 2 and 3 in neu- roblastoma SH-SY5Y cell line and mouse fibroblast l -929 cell lines. Cytotoxic activities of compounds 1, 2 and 3 in this cell lines were also determined by MTT method. Cells were incubated with differ- ent concentrations of Compound 3 showed the highest cytotoxic activity in SHY5Y cells at an IC50 dose of 13.01 ±0.87 μM at 72 h compared to other compounds. Compound 3 was determined to have lower cytotoxic activity in l -929 cells. The chemical activities of the molecules against the B3LYP, HF, M062X level 3–21 g, 6–31 g, and SDD basis set with the Gaussian package program and biologically against the adenosine A(2A) receptor (PDB ID: 3PWH and 5NM4) proteins for neuroblastoma tumors cell with the Maestro Molecular modeling platform by Schrödinger were compared. Both experimental and the- oretical NMR, UV–vis, and IR spectra of the studied molecules were compared. ADME/T analysis was performed to examine the drug properties of the molecules. Finally, these assayed for their activities against metabolic enzymes acetylcholinesterase and α-glucosidase. The most potent compounds against AChE were order compounds 3, 2 and 1 with K i values of 35.88 ±6.61, 43.75 ±8.28, and 45.34 ±3.50 μM against AChE, respectively. The results indicated that all the synthesized compounds exhibited excellent inhibitory activities against mentioned enzymes as compared with standard inhibitors. These inhibitors may be candidates for drug design.Öğe Effect of azomethine group containing compounds on gene profiles in Wnt and MAPK signal patterns in lung cancer cell line: In silico and in vitro analyses(Elsevier, 2023/3/5) Agbektas, Tugba; Zontul, Cemile; Ozturk, Alpaslan; Huseynzada, Alakbar; Ganbarova, Rana; Hasanova, Ulviyya; Cinar, Gulcihan; Tas, Ayca; Kaya, Savas; Chtita, Samir; Silig, YavuzThe main aims of anticancer drug development studies is to reduce the toxicity of the developed com- pound and maximize the effectiveness, as well as the discovery of artificial and natural compounds. In recent years, scientists have accelerated their research on new molecules with anticancer activity. In re- cent years, new drugs containing the azomethine group are thought to be promising in the treatment of cancer. In this study, firstly, the synthesis of azomethine group-containing compounds, i.e. Schiff bases, which was designed theoretically, was carried out. Secondly, the application of the newly synthesized compounds 1, 2, 3 and 4 to the lung cancer cell line (A-549), followed by the determination of their anticancer activities, and finally the Wnt signaling pathway ( CSNK1A1, CTNNB1 ), MAPK signaling path- way ( DUSP1, DUSP2, DUSP4 and DUSP10 ) genes on expression levels was investigated. The compounds synthesized in our study were characterized by 1H and 13C NMR spectroscopy methods. The anticancer activities of the new synthesized molecules were determined in the A-549 lung cancer cell line using the MTT method. Expression levels of Wnt signaling pathway ( CSNK1A1, CTNNB1 ) and MAPK signaling path- way ( DUSP1, DUSP2, DUSP4 and DUSP10 ) genes were determined by RT-PCR method. In addition, A-549 cells were evaluated in terms of biochemical parameters. In addition to experimental studies, theoretical studies were carried out. Molecular docking results were found to be compatible with the experiments. Compounds 1, 2, 3 and 4 applied to cell line A-549 showed the highest activity after 72 h of incubation. As a result, it was determined that compounds 2 and 4 increased the expression of CTNNB1 and DUSP10 genes compared to the control group. It was determined that compound 4 increased the expression level of CSNK1A1, CTNNB1, DUSP1, DUSP2, DUSP4 and DUSP10 genes compared to other groups. A-549 lung can- cer cells showed a 70% reduction in GST levels in compound 1, while a 96% reduction in CAT levels in compound 1 compared to the control group. Molecular docking calculations supported the Experimental observations. Calculated binding energies provided important clues about drug efficiencies of molecules studied.Öğe In Silico and In Vitro Studies of Novel Azomethines on DNA Repair Genes in Gastric Cell Lines(MDPI, 2023/9/28) Ozturk, Alpaslan; Agbektas, Tugba; Huseynzada, Alakbar; Guliyev, Ruslan; Ganbarova, Rana; Hasanova, Ulviyya; Tas, Ayca; Erkan Sultan; Zontul, Cemile; Inandiklioglu, Nihal; Silig, YavuzWe herein report the determination of the cytotoxic activity and expression profiles of some DNArepair genes of newly synthesized azomethines in the gastric cancer cell line (AGS). The studied novel compounds were synthesized by a condensation reaction and received compounds werecharacterized by 1Hand13CNMRspectroscopymethods. Furthermore, theywereappliedtothe AGScell line at eight different concentrations (0.1–50 g/mL). Anticancer activities were determined using the MTTmethod. Expressionlevels of ATR,ERCC1, TOP2A,andABCB1genesweredetermined by the RT-PCRmethod. Biochemical parameters were also examined. The interaction of proteins with other proteins was investigated with the String v11 program. The IC50 values of compounds 1, 2, and 3 obtained after 72 h were 23.10, 8.93, and 1.58 g/mL, respectively. The results demonstrate that the cytotoxic activity of compound 3 on AGS cancer cells is higher in comparison with other molecules. It was determined that the expression levels of ATR, TOP2A, and ABCB1 genes in compounds 1, 2, and 3 were decreased compared to the control group. In addition, it was determined that ERCC1 gene expression increased in compound 3, decreased in compound 2, and remained unchanged in compound 1 (p <0.001). In AGS gastric cancer cells, a 64% decrease was detected for GST levels in compound 1, while a 38% decrease in GSH levels in compound 2. In addition, compounds 1–3 were examined at the molecular level with computational techniques and the docking studies revealed 4LN0 as a target proteinÖğe Investigation of Early Growth Response Protein (EGR) Levels in Patients with Fibromyalgia Syndrome: A Cross-Sectional Study(Bentham Science Publishers, 2023/12/1) Tas, Ayca; Agbektas, Tugba; Karadag, Ahmet; Aydin, Süleyman; Hayta, Emrullah; Silig, YavuzBackground: Fibromyalgia is a soft tissue rheumatism characterized by chronic and widespread musculoskeletal pain at specific points in the body. Objectives: In this study, we aimed to investigate the relationship between Early Growth Response (EGR1, EGR2, and EGR3) protein levels in patients with Fibromyalgia Syndrome (FMS) and healthy controls. Methods: In our studies, 76 FMS patient group and 78 healthy control group who were newly diagnosed with primary FMS according to the 2010 American College of Rheumatology criteria for fibromyalgia in Sivas Cumhuriyet University Hospital, Physical Therapy, and Rehabilitation were used. Venous blood samples were taken from both groups for the measurement of EGR1, EGR2, and EGR3 protein plasma levels, and protein levels were determined using ELISA methods. Statistical parametric test assumptions were compared using the Independent Student's t-test. In addition, specificity, sensitivity, and AUC values were calculated with the ROC curve. Results: The relationship between plasma EGR1 protein levels of FMS patients and control groups was statistically significant (p=0.001). Conclusion: EGR1 protein levels were found to be lower in the patient group diagnosed with FMS compared to the control group. It has been suggested that EGR1 protein levels can be important in the diagnosis of FMS disease.Öğe Evaluation of non-starch polysaccharide addition in Turkish noodles: ELECTRE techniques approach(2021) Göksel Saraç, MeryemIn the present study, the effects of non-starch polysaccharide addition into noodle samples were determined in uncooked and cooked noodle samples from cooking, physicochemical, textural, and sensorial aspects. Turkish-type noodles were obtained using apple (AFN), carrot (CFN), inulin (IFN), and pea (PFN) fibers among the non-starch polysaccharides. Moreover, the sensory analyses were performed using elimination et choixtraduisant la realite-elimination and choice translating reality (ELECTRE), one of the multi-criteria decision-making approach methods. The cooking loss values were found to be low in the final products containing a high amount of dietary fibers. The hardest product among the cooked noodles was the noodle produced using pea fiber that was also the one with the lowest water absorption value. Because of the different characteristics of dietary fibers, the noodles also have different properties. Based on the criteria selected as a result of the ELECTRE analysis performed for sensorial analysis, the most preferred product following the control sample was found to be the IFN sample. The others were ranked as the ones obtained using pea, carrot, and apple fiber.Öğe Encapsulation of mono,?diglycerides obtained from rendering waste oil: Powder, interfacial, rheological and emulsion properties(2021) Göksel Saraç, Meryem; Doğan, MahmutIn the present study, the mono,-diglycerides obtained from rendering waste oil were encapsulated with skim milk powder (MP) and whey protein (WP), and the properties of surfactants obtained were determined. The encapsulation procedure performed in order to achieve ease of use and to determine potential protein-surfactant synergetic effects was performed with dry matter rates of 10% and 20% and surfactant/encapsulation material rates of 1:2 and 1:3 (four different rates for each encapsulation material). The encapsulation efficiency, physiochemical properties, emulsifier stabilities, SEM images, steady, dynamic, and interfacial properties of specimens were determined. WP-coated products yielded better results in effective encapsulation efficiency (between 50.38% and 68.44%) and emulsion stability tests (between 23.99% and 37.77% for emulsion stability index), whereas MP-coated mono,-diglycerides yielded better results in viscosity analysis (between 18.04 and 32.13 mPa/s for 25°C) and powder properties such as Carr index (between 50.68% and 55.55%). When using MP and WP in mono-diglyceride encapsulation, new surfactants having different properties were obtained.Öğe Rendering waste oil as a new source for the synthesis of emulsifier: optimization, purification, and characterization(2021) Göksel Saraç, Meryem; Doğan, MahmutThe enzymatic glycerolysis conditions in the production emulsifier by using the rendering waste oil were optimized in the present study. The effects of changes in duration (1-27 h), temperature (50-80 degrees C), enzyme (5-20%), and glycerol (5-20%) concentration, addition of solvent (acetone, acetonitrile, chloroform, methanol, ethanol, and tert-butanol) and water addition (3.5% of glycerol rate), and ultrasound application on the enzymatic glycerolysis reaction medium for mono- and diglyceride production were investigated. After determining the optimum conditions, the effects of the ultrasonic bath on the physic-chemical and rheological properties of emulsifier, the oxidation tests were examined. Using the preparative column chromatography method, three different emulsifier compositions were achieved and named E100, E50-50, and E50-40-10 by their monoglyceride, diglyceride, and triglyceride contents, respectively. Then, the post-purification emulsion properties and rheological behaviors of emulsifier samples were determined. E50-40-10 emulsifier was found to be the best sample in terms of rheological properties and emulsion stability.Öğe Interfacial properties of poppy seed protein (Papaver somniferum L.) as an alternative protein source at oil/water interface: influence of pH on stability, morphology and rheology(2021) Göksel Saraç, Meryem; Doğan, Mahmut; Aslan Türker, Duygu; Yetiman, Ahmet EvrenThis study was systematically investigated the bulk and interfacial rheological properties of the poppy seed proteins as new source of plant proteins for healthier diets. Results revealed that low molecular weight of proteins (> 15 kDa) might contribute to the emulsion stability. The droplet size increased inversely with protein band density in the 10–15 kDa range. The pH value of the most stable emulsion was pH 3.0. An increasing trend of emulsion activity was observed for decreasing pH values which perhaps could be attributed to an opening of protein conformational structures. The optical microscopy results showed that the decrease in pH resulted in a better storage stability as promoting the formation of a more uniform distribution and smaller oil droplets. We conclude that present study puts forth a major contribution to plant protein research by demonstrating its ability to make stable emulsion as a function of pH at the O/W interface.Öğe Influence of sucrose reduction and starch type on bulk and powder properties of ready-to-use powdered dessert(2021) Göksel Saraç, Meryem; Aslan Türker, Duygu; Doğan, MahmutThe powdered food mixtures are widely consumed due to their ease of preparation and storage. Although the addition of sucrose improves the reconstitution process of ready-to-use powdered desserts, high amounts of sucrose are undesirable regarding the nutritional value. Therefore, present study aimed to determine the impact of the sucrose particle size and differences in starches on the powder flow properties of powdered puddings. The caking, powder speed dependency and cohesion tests along with the other bulk properties were grouped with the hierarchical cluster. A reverse relationship was found between the cohesion coefficient and cohesion index values. The cake was not formed in samples which comprised granulated sucrose and corn starch. However, the icing sugar containing puddings had considerably lower cake and mean cake strength values. Based on the results, the icing sugar can be regarded as a good ingredient for ready-to-use dessert considering the storage, handling and transportation conditions.Öğe Structural, spectroscopic and activity calculations on methanesulfonylhydrazone derivative chromium pentacarbonyl complexes(Turkish Chemical Society, 2018) Erkan S.; Sayin K.; Karakaş D.The thiophene-2-carboxyaldehyde methanesulfonylhydrazone (msh1), 2-acetylthiophene methanesulfonylhydrazone (msh2) and 2-acetyl-5-methylthiophene methanesulfonylhydrazone (msh3) ligands, a heteroatomic methanesulfonylhydrazone derivative, was optimized by using HF and DFT (B3LYP) method with 6-31G(d,p) basis set. The calculated IR spectra for msh1, msh2 and msh3 were compared with experimental data and the suitability of the calculation methods was discussed. LANL2DZ and GEN basis sets were used for calculations of chromium pentacarbonyl complexes containing msh1, msh2 and msh3 ligands. According to the experimental IR spectra the most appropriate method and basis set was determined. Structural parameters of ligands and complexes were predicted. To investigate the biological activities of ligands and complexes, some activity descriptors were obtained from optimized structures. Molecular electrostatic potential (MEP) maps of the mentioned ligands and complexes were examined and active sites were determined. The molecular docking study of ligands and complexes with Bacillus cereus (PDB ID=5V8E), Staphylococcus aureus (PDB ID=1BQB), and Candida albicans (PDB ID=1AI9) were performed. © 2018, Turkish Chemical Society. All rights reserved.