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Öğe Aminopyrazole-substituted metallophthalocyanines: Preparation, aggregation behavior, and investigation of metabolic enzymes inhibition properties(Wiley-V C H Verlag Gmbh, 2019) Guzel, Emre; Kocyigit, Umit M.; Arslan, Baris S.; Atas, Mehmet; Taslimi, Parham; Gokalp, Faik; Gulcin, IlhamiThe synthesis, characterization, aggregation behavior, theoretical studies, and investigation of antimicrobial, antidiabetic, and anticholinergic properties of 4-(2-(5-amino-4-(4-bromophenyl)-3-methyl-1H-pyrazol-1-yl)ethoxy)phthalonitrile (2) and its soluble aminopyrazole-substituted peripheral metallo (Mn, Co, and Ni)-phthalocyanine complexes (3-5) are reported for the first time. The synthesized compounds and phthalocyanine complexes were characterized spectroscopically. The new phthalonitrile derivative (2) and its peripheral metallophthalocyanine complexes (3-5) were found to be effective inhibitors of alpha-glycosidase, acetylcholinesterase (AChE), human carbonic anhydrase I and II isoforms (hCA I and II), and butyrylcholinesterase (BChE) with K-i values in the range of 1.55 +/- 0.47 to 10.85 +/- 3.43 nM for alpha-glycosidase, 8.44 +/- 0.32 to 21.31 +/- 7.91 nM for hCA I, 11.73 +/- 2.82 to 31.03 +/- 4.81 nM for hCA II, 101.62 +/- 26.58 to 326.54 +/- 89.67 nM for AChE, and 68.68 +/- 11.15 to 109.53 +/- 19.55 nM for BChE. This is the first study of peripherally substituted phthalocyanines containing an aminopyrazole group as potential carbonic anhydrase enzyme inhibitor. Also, the antimicrobial activities of the synthesized compounds were evaluated against six microorganisms (four bacteria and two Candida species) using the broth microdilution method. The gram-positive bacteria were detected to be more sensitive than gram-negative bacteria and yeasts in the synthesized compounds.Öğe The Effect of REACT and Computer-Assisted Instruction Model in 5E on Student Achievement of the Subject of Acids, Bases and Salts(SPRINGER, 2020) Gokalp, Faik; Adem, SelenThis research was carried out to investigate the effect of the 5E learning method and 5E method enriched with REACT strategy on student achievement in science education. The research was carried out with 64 first-year students (30 in the experimental groups, 34 in the control groups) in the Department of Primary Education at a state university in the spring semester of 2017-2018 in the context of "Acids, Bases and Salts". The pre-test/post-test quasi-experimental design with a control group was used in this study. In the experimental group, the 5E method enriched with the REACT strategy was used while the computer-assisted 5E instruction method was used in the control group. The data were collected by means of a "Subject Achievement Test", consisting of open-ended questions. The dependentttest results of the experimental and control group revealed a significant difference in favour of the post-test in both groups. According to the independentttest results of the groups, the 5E method enriched with REACT strategy was found to be more effective in order to improve student achievement compared to computer-assisted 5E learning method.Öğe The inhibition effect of garlic-derived compounds on human immunodeficiency virus type 1 and saquinavir(Wiley, 2018) Gokalp, FaikGarlic has been used as a traditional medicine to treat various diseases. Garlic reduces the risk of some diseases. This protective effect is due to the organosulfur compounds of garlic. The aim of this study was to investigate the inhibition effects of garlic-derived compounds on human immunodeficiency virus type 1 (HIV-1) and as the most important anti-HIV-1 medicine. The activation of saquinavir is believed to be the principal mechanism behind the protective effects of HIV-1. Our theoretical calculations are performed for blood phase by using the density functional theory for the main compounds of garlic. The chemical activity and solubility of ajoene and the mainly derived compounds of garlic as theoretical calculations are important for the medical research comparing with the other compounds of the garlic. The theoretical calculations have helped us to determine which active ingredient of the garlic having inhibition effects on HIV-1 and saquinavir.Öğe The investigation of the healing effect of active ingredients in traditional medicinal plants on lung cancer(HUMANA PRESS INC, 2020) Gokalp, FaikThe healing effect of herbal active compounds on lung cancer has been recently investigated. Lung cancer is one of the leading types of cancer. The causes and prevention of lung cancer diagnosis have an important role as the inhibition of proteins in the initial treatment of the disease. The docking score was used to investigate the effect of some active compounds in traditional medicinal plants. The use of widespread medicinal plants and determination of active substances reveal the importance of docking studies in choosing the right active substance in a short time. The inhibition of essentially active compounds on lung cancer has been an important condition as the traditional medicinal plants that are rich in active substance and direct the experimental studies. In this study, the effects of the active ingredients in traditional food supplements used in many countries on the lung cancer were calculated based on the drugs used as standard. It will be hope that these active substances with high healing effects will be tested in the clinical field and turned into drugs.Öğe An investigation of the olive phenols activity as a natural medicine(Food & Drug Adminstration, 2018) Gokalp, FaikThe natural antioxidants of olive oil have phenolic structure and their activities are related to the formation of stable derivatives. In this study, the single components of the phenolic fraction of olive oil (1,4-hydroquinone, Semiquinone and 1,4-benzoquinone) have been studied as theoretical by using DFT (Density functional Theory). The behaviors of phenolic compounds of olive against to the alkyl peroxy radicals were investigated. Our data show that 1,4-benzoquinone is the best electron transfer agent in primary metabolic processes to human life. The frontier orbital gap, namely HOMO (highest occupied molecular orbital) eLUMO (lowest unoccupied molecular orbital) gap is the smallest for 1,4-benzoquinone. Hence, it is more stable than the others in blood. The natural phenolic compound's mechanism of many plants can be explained by using DFT method without consuming time and money. In this study, we have indicated the behaviors of natural antioxidants of olive oil's single components phenolic structure in blood phase. Copyright (c) 2017, Food and Drug Administration, Taiwan. Published by Elsevier Taiwan LLC. This is an open access article under the CC BY-NC-ND license.Öğe Investigation of the Pharmacokinetic Properties and Theoretical Chemical Activities of 7,8-Dihydroxyflavone and 4'-Dimethylamino-7,8-Dihydr-oxyflavone(Bentham Science Publ Ltd, 2023) Karakaya, Muhammed Fatih; Gokalp, Faik; Sener, Erol; Korkmaz, Orhan TanselAims Flavonoids naturally exist in plants as secondary metabolites. In this study, the aim is to determine and compare the theoretical and in vivo chemical activities of 7,8-dihydroxyflavone (7,8-DHF) and 4'dimethylamino-7,8-dihydroxyflavone (4'-DMA-7,8-DHF), tyrosine receptor kinase B (TrkB) receptor agonist flavonoid molecules with reported potent neuroprotective effects. Methods The density functional theory (DFT) (RB3LYP) method was used for the theoretical chemical analysis. For the in vivo studies, 6-month-old Wistar rats were used in two groups (n=8). 7,8-DHF and 4'-DMA-7,8-DHF (5 mg/kg) were administered intraperitoneally (ip) to each group. Then, plasma samples were collected by carotid catheterization, and brain samples by the microdialysis technique were collected simultaneously for 12 h from awake rats. The level of 7,8-DHF and 4'-DMA-7,8-DHF in blood and brain samples were analyzed and their pharmacokinetics were determined. Results Theoretical calculations show that 7,8-DHF is slightly more stable than 4'-DMA-7,8-DHF. The in vivo pharmacokinetic results show that the maximum concentration of 7,8-DHF was about 48 ng/mL, whereas it was only 8 ng/mL for 4'-DMA-7,8-DHF. Conclusion Our results suggest that the 4'-DMA-7,8-DHF is more unstable and is more prone to binding to TrkB than 7,8-DHF. On the other hand, the in vivo pharmacokinetic results show that 7,8-DHF is more stable than 4'-DMA-7,8-DHF when it is applied systemically at therapeutic concentrations.Öğe Investigation of the pharmacokinetic properties and theoretical chemical activities of 7,8-dihydroxyflavone and 4'-dimethylamino-7,8-dihydroxyflavone(Bentham Science Publishers, 2023) Karakaya, Muhammed Fatih; Gokalp, Faik; Sener, Erol; Korkmaz, Orhan TanselAims: Flavonoids naturally exist in plants as secondary metabolites. In this study, the aim is to determine and compare the theoretical and in vivo chemical activities of 7,8-dihydroxyflavone (7,8-DHF) and 4'dimethylamino-7,8-dihydroxyflavone (4’-DMA-7,8-DHF), tyrosine receptor kinase B (TrkB) receptor agonist flavonoid molecules with reported potent neuroprotective effects. Methods: The density functional theory (DFT) (RB3LYP) method was used for the theoretical chemical analysis. For the in vivo studies, 6-month-old Wistar rats were used in two groups (n=8). 7,8-DHF and 4’-DMA-7,8-DHF (5 mg/kg) were administered intraperitoneally (ip) to each group. Then, plasma samples were collected by carotid catheterization, and brain samples by the microdialysis technique were collected simultaneously for 12 h from awake rats. The level of 7,8-DHF and 4’-DMA-7,8-DHF in blood and brain samples were analyzed and their pharmacokinetics were determined. Results: Theoretical calculations show that 7,8-DHF is slightly more stable than 4’-DMA-7,8-DHF. The in vivo pharmacokinetic results show that the maximum concentration of 7,8-DHF was about 48 ng/mL, whereas it was only 8 ng/mL for 4’-DMA-7,8-DHF. Conclusion: Our results suggest that the 4'-DMA-7,8-DHF is more unstable and is more prone to binding to TrkB than 7,8-DHF. On the other hand, the in vivo pharmacokinetic results show that 7,8-DHF is more stable than 4’-DMA-7,8-DHF when it is applied systemically at therapeutic concentrations. © 2023, Bentham Science Publishers. All rights reserved.Öğe A New Approach Of Gluten Derivatives For Activity As Theoretical(Yildiz Technical Univ, 2017) Gokalp, FaikGluten is the mainly rubbery mass that remains after wheat dough is being washed to remove starch granules and water-soluble constituents. Gluten is known as proteins and it plays an important role in indicating the unique baking quality of wheat. Their derivatives can be divided into two main fractions;: one of them is the soluble gliadins and the other is insoluble glutenins. After intaken gluten and monosodyum glutamate, the salt form of glutamate, the quantity of glutamate and glutamic acid in blood increases. In our study; we investigate the chemical properties of gluten, glutamic acid and monosodyum glutamate as theoretical by using RHF/STO-3G method for quantum chemical calculations and geometry optimization methot to give direction the experimental studies as saving up time and money.Öğe A Study On The Chemical Properties Of Eugenol And Eugenol Acetate, Clove Essential Oils(Yildiz Technical Univ, 2016) Gokalp, FaikEugenol and eugenol acetate are a clove essential oil getting from hydrodistilltion of Syzygium aromaticum's buds and leaves. It has antimicrobial, antioxidant, analgesic, anticancer activities and used for protecting foods from microorganisms, used as tradational medicine. Eugenol is eager to dissolve in blood and give reaction to radicalic forms of other moleculues. Because of that; It slows cancer cells formation by preventing the radicalic damage.Öğe Theoretical Study of Synthesis of 1,3-dibromonaphthanlene(Chem Soc Pakistan, 2018) Gokalp, Faik; Erenler, RamazanNaphthalene derivatives have been attracted the interest for synthesis of natural products having biological properties. Elimination reaction of tetrabromonaphthalene (1) resulted in the formation of 1,3-dibromonaphthalene (2) rather than 1,4-dibomonaphthalene (3). This phenomenon was explained by theoretical investigation. The physical properties and optimization of tetrabromonaphthalene (1), 1,3-dibromonaphthalene (2) and 1,4-dibromonaphthalene (3) were evaluated by B3lyp/6-31+G(d,p) method. Due to the HOMO-LUMO gap of 1,3-dibromonaphthalene (2) was higher than that of the 1,4-dibomonaphthalene (3), the formation of 1,3-dibromonaphthalene (2) was favorable. Moreover, Higher dipole moment of 1,3-dibromonaphthalene (2) than 1,4-dibomonaphthalene (3) supported the synthesis of 1,3-dibromonaphthalene (2) properly.
