Sürdürülebilir Kalkınma Amaçları

Yazarlar

  • MakaleYalnız künye2026Scopus SJRQ2
    Synthesis, biological evaluation, and computational analysis of chromone-based carboxamides targeting Alzheimer’s disease

    Kilic, Burcu; Aksakal, Fatma; Dogruer, Deniz S.

    Alzheimer's disease (AD) is among the most serious long-term health problems of the last few decades. Regrettably, the current lack of treatment options for AD has made it a highly sought-after topic of drug development research. The utilization of multitarget directed ligand design (MTDL) has been the primary focus of research on developing pharmaceuticals for AD. By this approach, we designed novel cholinesterase inhibitors (ChEI) that may also exhibit additional monoamine oxidase (MAO) inhibitory, antioxidant, and metal chelator properties. Within the scope of the current work, twenty N-(2-(tertiaryamine-substituted)ethyl)-4-oxo-4H-chromene-2/3-carboxamide derivatives were synthesized and characterized. Subsequently, we conducted biological investigations for enzyme inhibitory (ChEs and MAO), antioxidant, and metal-chelating activities. Furthermore, we assessed the in silico physicochemical parameters of the compounds to evaluate their drug-likeness or druggability. Additionally, comprehensive computational studies were conducted, including density functional theory (DFT)-based frontier molecular orbital (FMO) analysis, global chemical reactivity descriptors, and molecular electrostatic potential (MEP) surface analysis, along with molecular docking, to elucidate the electronic properties, reactive sites, and binding interactions of the compounds with ChE enzymes.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2026Scopus SJRQ2
    Therapeutic potential of Artemisia Kurramense against Helicobacter pylori infection-associated gastric pathogenesis: A network pharmacology, molecular docking, and DFT study

    Alkholifi, Faisal K.; Ali, Nijat; Foudah, Ahmed I.; Ahmad, Muhammad; Yusufoglu, Hasan Soliman; Jamil, Shahid

    Introduction: Artemisia Kurramense has been used for gastrointestinal and inflammatory conditions, but no attempt has been made to explore the possible computational molecular mechanism against Helicobacter pylori-associated gastric pathogenesis. This study aimed to develop a computational hypothesis of the therapeutic potential of A. Kurramense by combining the phytochemical profiling based on LC-HRMS with network pharmacology, molecular docking and density functional theory (DFT) analysis. Methods: LC-HRMS profiling of three extracts of A. Kurramense resulted in the identification of 40 phytochemicals, of which 37 were unique across all three extracts analyzed. Oral bioavailability and drug-likeness screening were carried out for the identified compounds, which were then subjected to target prediction, disease-associated target intersection, protein–protein interaction (PPI) network analysis, Gene Ontology and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, molecular docking study and density functional theory (DFT) calculation. Results: Integrated analysis identified 131 common therapeutic targets, with AKT1, PIK3CA, and EGFR as prominent hub targets. Functional enrichment identified the PI3K-Akt pathway as the top enriched pathway, followed by cancer pathways, HIF-1, FoxO, MAPK and apoptosis pathways. Key regulatory proteins in the PI3K-Akt network were AKT1, PIK3CA, EGFR, PIK3R1 and TP53. The prioritized phytochemicals showed good predicted binding affinity with AKT1, with the greatest affinity for quercetin (AK-7) (−10.047 kcal/mol). At the same time, the DFT analysis revealed favourable electronic properties and chemical reactivity of the prioritized compounds. Conclusion: The computational results support a hypothesis that A. Kurramense is a multi-target modulator of host inflammatory, survival, oxidative-stress, and apoptosis-related signaling pathways, with the PI3K-Akt signaling pathway as a potential central mechanism of action. Some prioritized phytochemicals, such as quercetin, are promising for further investigation. However, these are computational predictions and further studies to validate the anti-H. pylori activity, target engagement, pathway modulation, and gastric protective effects require appropriate in vitro and in vivo studies.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2025Scopus SJRQ2
    Evaluation of the effect of subclinical hypothyroidism on retinal blood flow. OCT angiography study

    Gunes, Irfan Botan; Onal, Eda Demir

    Purpose: To evaluate retinal blood flow and retinal nerve fiber layer (RNFL) thickness in untreated subclinical hypothyroid patients by optical coherence tomography angiography (OCT-A). Methods: Forty-four eyes of 44 patients in the subclinical hypothyroidism group (SCHG) and 42 eyes of 42 healthy subjects in the control group (CG) were included in the study. Macular superficial retinal blood flow (SRBF), peripapillary RNFL thickness and optic nerve head cup to disk ratio (C/D) were measured and recorded by OCT angiography and compared between the patient and control groups. Correlation analysis between disease duration and SRBF and RNFL thickness was also performed. Results: Mean SRBF was 37.23 ± 2.11 in the SCH group and 38.45±1.20 in the control group. Mean SRBF was significantly lower in the SCH group (p=0.003). Mean Peripapillary RNFL thickness was 98.18±7.77 in the SCH group and 100.07 ± 7.71 in control group. Peripapillary RNFL thickness was not significantly different between groups (p=0.290). There was no significant difference in mean C/D between the groups (p=0.708). Correlation analysis showed a moderate negative correlation between duration of disease diagnosis and SRBF in the SCH group (p<0.001, r=-0.564). There was also a weak to moderate negative correlation between disease duration and RNFL thickness in SCH group (p=0.002, r=-0.489). Conclusions: A reduction in SRBF was observed in patients with subclinical hypothyroidism. Additionally, a negative correlation was identified between disease duration and RNFL thickness. Patients with subclinical hypothyroidism should be monitored for potential retinal vascular disease and the development of normotensive glaucoma.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleYalnız künye2025Scopus SJRQ2
    Synthesis, characterization and biological evaluation of new Coumarin-Ferrocene conjugates as antitumor agents

    Taner, Bilge; Mahmood Mahmood, Aysha Hasan; Karakurt, Serdar; Altuner, Elif Esra; Dar, Umar Ali

    Two novel ferrocene-appended coumarin derivatives, FcL1 and FcL2, were synthesized and characterized using various analytical techniques which includes IR, UV, 1H NMR, 13C NMR and mass spectroscopy. 1H NMR revealed signals for the substituted cyclopentadiene ring at δ 4.80 and δ 4.61 ppm (FcL1) and δ 4.81 and 4.60 ppm (FcL2), while 13C NMR confirmed azomethine carbons at δ 162.95 and 160.43 ppm, respectively. UV–Vis analysis confirmed the successful molecular design of FcL1 and FcL2, achieving the desired electronic properties. Cytotoxic and antiproliferative effects of FcL1 and FcL2 were evaluated against metastatic colorectal carcinoma (CRC) DLD-1 cells and healthy colon epithelium CCD-18Co cells using the Alamar Blue assay. Both compounds inhibited DLD-1 cell proliferation in a dose-dependent manner, with IC50 values of 64.3 ± 2.4 µM (FcL1) and 67.1 ± 3.1 µM (FcL2). Minimal cytotoxic effects were observed on healthy colon epithelial cells at the same concentrations (p < 0.001). Fluorescence microscopy revealed the localization of both compounds in the cytoplasm and nucleus of cells. These findings suggest FcL1 and FcL2 as potential candidates for colorectal cancer therapy, exhibiting selective cytotoxicity toward cancer cells with low toxicity to healthy cells.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
    AtıfScopus8WoS6OpenAlex7
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  • MakaleYalnız künye2025Scopus SJRQ2
    The prognostic value of the MAGGIC risk score in patients with acute pulmonary embolism

    Artac, Inanc; Ilis, Dogan; Karakayali, Muammer; Omar, Timor; Arslan, Ayca; Topaloğlu, Ihsan; Karabag, Yavuz; Karakayon, Suleyman; Rencuzogullari, Ibrahim

    Objectives: Acute pulmonary embolism (PE) is a potentially life-threatening condition characterized by the sudden blockage of the pulmonary arteries. Although the MAGGIC risk score has emerged as a valuable tool in predicting outcomes in patients with chronic heart failure, it has also been demonstrated and identified as a prognostic model in various cardiac diseases other than heart failure. In this study, we aimed to investigate the relationship between MAGGIC score and adverse outcomes in patients with PE. Materials and Methods: A total of 302 consecutive patients diagnosed with acute PE were retrospectively included in the present study. For each patient, the MAGGIC score was calculated. The study population was divided into two groups according to the median value of MAGGIC score. Results: Patients with high MAGGIC score had a significantly higher proportion of elderly and female individuals, lower BMI, higher presence of CAD, DM, AFib, HF, HT, CKD, COPD, and ACEI/ARB and NOAC usage. Logistic regression analyses was carried out using univariate and multivariate analysis to predict the in-hospital and 30-day mortality predictors in the included PE patients. For in-hospital mortality, diastolic blood pressure, heart rate, RV dilatation, and the MAGGIC score (HR: 1.166, 95% CI 1.077–1.263, p < 0.001) and for short-term mortality, sPESI and the MAGGIC score (HR: 1.925, 95% CI 1.243–2.983, p:0.003) were found to be independent predictors for adverse outcomes in patients with acute PE. Conclusion: Our study demonstrates that the MAGGIC score can be applied as a valuable prognostic tool for acute pulmonary embolism.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
    AtıfScopus6WoS4OpenAlex6
    ScopusWeb of SciencePubMedİncele
  • MakaleAçık Erişim2024Scopus SJRQ1
    BrainPixGAN: Generating intraoperative MRI images with mask-based generative networks

    Eker, Ayşe Gül; Pehlivanoğlu, Meltem Kurt; Duru, Nevcihan; Dündar, Tolga Turan

    In recent years, efforts to enhance precision in brain tumor surgeries have focused on using artificial intelligence (AI) with medical imaging. This involves integrating AI with medical imaging. This study aimed to generate a tumor-free MRI by using Generative Adversarial Networks (GANs) to establish a relationship between preoperative magnetic resonance imaging (MRI) and resection cavity segmentation masks obtained from intraoperative ultrasound (IOUS) data. For cavity segmentation, U-Net and U-Net with transfer learning were used, with the U-Net + EfficientNetB7 model achieving a high dice score of 97.82. The resection cavity mask was applied to preoperative MRI images using Pix2Pix, SPADE GAN, and BrainPixGAN. BrainPixGAN, incorporating transfer learning, outperformed the others, achieving SSIM 0.87, PSNR 35.89, and LPIPS 0.0037. This innovative approach represents a pioneering effort in generating GAN models for intraoperative MRI (iMRI) images using IOUS data, despite the challenges in setup and cost associated with iMRI imaging.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
    AtıfScopus13WoS10OpenAlex8
    ScopusWeb of Scienceİncele
  • MakaleYalnız künye2024Scopus SJRQ3
    A fully conjugated imidazole-fused perylene phenantroline ruthenium(II) complex in photocatalytic oxidation

    Aksakal, Nuray Esra; Aksakal, Fatma; Gül, Elif Yıldız; Eçik, Esra Tanrıverdi; Yuksel, Fatma

    In this investigation, the suitability of a specially designed imidazole-fused perylene ruthenium(II) molecule, denoted as Ru-PhP, was explored by employing the photooxidation of 1,5-dihydroxynaphthalene (DHN) to produce Juglone as a model reaction. This distinctive, entirely conjugated compound was synthesized through the reaction between perylene imide anhydride dye (1) and a ruthenium(II) phenanthroline complex (2) in the presence of a Zn(OAc)2 catalyst. Structural analyses of the compound were performed by using general spectroscopic methods including FT-IR, 1H NMR, 13C- NMR, and MALDI-TOF analyses. Various photophysical properties, including the UV–Vis absorption spectrum, fluorescence emission spectrum, and fluorescence quantum yield, were examined. The photochemical studies via indirect method endorsed Ru-PhP as an efficient photosensitizer. Furthermore, Ru-PhP proved to be highly effective in facilitating the photooxidation of DHN to yield juglone. DFT-based natural bond orbital analysis revealed intramolecular charge transfer in Ru(II) coordination environment, with a strong total stabilization energy (25.31 eV) between the ruthenium acceptor and nitrogen donors in the bipyridine and phenanthroline units. The dispersion of HOMO electrons within the imidazole-bridged perylene moiety and the localization of LUMO electrons near Ru(II)-coordinated bipyridine units were observed through Frontier Molecular Orbital and molecular electrostatic potential analyses. Ru-PhP is proposed as photocatalyst for photo redox catalytic organic reactions.

    AtıfScopus2WoS2OpenAlex2
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  • MakaleYalnız künye2024Scopus SJRQ2
    Fluorimetric methods for determination of aluminum in water resources utilizing newly synthesized N,N'-bis(2,5-dihydroxybenzylidene)-4,4′-diamino diphenyl ether

    Nur Tatli, Havva; Beniz Gunduz, S.; Sahin, Mustafa; Esra Altuner, Elif; Ali Dar, Umar

    Industrial waste contaimnation of water sources is a serious environmental problem. As a result, it's critical to identify metallic contamination in water with precision, sensitivity, and accuracy. In acetonitrile, the fluorimetric parameters of N,N-'bis(2,5-dihydroxybenzylidene)-4,4′-diamino diphenyl ether (DHDPE) and aluminum complex were determined. In the acetonitrile medium, the best fluorescence intensity of the DHDPE-Al complex was observed at λex = 280 nm, λem = 391 nm (excitation and emission wavelengths). For optimum complex formation, the ideal pH, duration, and temperature were 4.5, 20 min, and 25 °C, respectively. Within the ranges of 0.027–0.27 and 0.27–2.70 ppm aluminum concentrations, [Al3+]-F.I. Calibration graphs were linear. The fluorimetric aluminum measurement method was applied to diverse water sources using the newly synthesized macro molecular Schiff base DHDPE as the ligand. The aluminum concentration in water inflow to KOSKI (Konya Water and Sewerage Administration) was doubled as a result of the examination when compared to other samples of water.

    • SDG 6 · Temiz Su ve Sanitasyon
    AtıfScopus6WoS2OpenAlex5
    ScopusWeb of SciencePubMedİncele
  • MakaleYalnız künye2024Scopus SJRQ2
    Multifunctional anti-Alzheimer's agents: Synthesis, biological evaluation, and molecular docking study of new 2-phenoxyacetamide/3-phenoxypropanamide/4-oxobutanamide derivatives

    Shakila, Shakila; Kilic, Burcu; Bardakkaya, Merve; Aksakal, Fatma; Sagkan, Rahsan Ilikci; Dogruer, Deniz S.

    In the current study, three series of new compounds were designed and synthesized through hit optimization, based on the hit compound with a structure (E)-N-(4-{[benzyl(methyl)amino]methyl}thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop‑2-enamide, which was found as a potential multifunctional anti-Alzheimer agent in our previous study. Then, the biological activities of synthesized compounds (4a-c, 13a-b and 15a-c) were evaluated. The results indicated that 4b, a 2-phenoxyacetamide derivative, exhibited good multifunctional activities. Namely, compound 4b displayed better BChE inhibition (BChE IC50 = 2.10 µM) and antioxidant activity (ORAC = 1.18 Trolox equivalents) compared to the hit compound (BChE IC50 = 14.70 µM, ORAC = 0.5 Trolox equivalents). Additionally, 4b was able to chelate all tested biometals and it also exhibited a neuroprotective effect (63 %), comparable to reference ferulic acid (77 %) while maintaining its safety upon PC12 cell line. When it comes to lowering the levels of TNF-α, NO, IL-1β, and IL-6, 4b performed better activity, relative to the other synthesized compounds. Subsequently, in silico studies such as physicochemical properties, density functional theory (DFT) computational approach and molecular docking studies were performed.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
    AtıfScopus2WoS2OpenAlex3
    ScopusWeb of Scienceİncele
  • MakaleAçık Erişim2023Scopus SJRQ2
    The effects of cognition, quality of life, and fatigue on olfactory function in patients with multiple sclerosis

    Acikgoz, Mustafa; Piri Cinar, Bilge; Aciman Demirel, Esra; Celebi, Ulufer; Cekic, Sibel; Elicora, Sultan; Atasoy, Hüseyin Tugrul

    Aim: The frequency of olfactory dysfunction in patients with Multiple Sclerosis (MS) has revealed very different results in studies. Some studies have shown that olfactory dysfunction may be associated with cognitive impairment and poor quality of life. In these studies, different odor tests and cognitive tests were used and different results were obtained. Materials and methods: Forty literate patients over the age of 18 and 24 healthy volunteers of similar age and education were included in the study. Sniffin' Sticks Odor Test, California Verbal Learning Test II, Symbol Digit Modalities Test, Revised Brief Visuospatial Memory Test, Trail-Making Test, Quality of Life Short Form-36, Fatigue Impact Scale, Beck Depression Inventory, and Beck Anxiety Inventory were applied to the individuals. Results: Olfactory dysfunction was detected in 50 % of the patients. High disability rate, low cognitive functions, low quality of life, and fatigue were identified as the factors affecting olfactory function negatively. Odor discrimination and identification abilities were associated with disability level and cognitive functions, whereas quality of life was linked to odor threshold scores. The olfactory function and cognitive abilities of patients with progressive MS (n = 5) were worse than those of patients with relapsing remitting MS (n = 35). Conclusion: Olfactory dysfunction is common in patients with MS and is associated with disability and quality of life. Olfactory function can be used in the follow-up of patients and olfactory dysfunction deserves further study as a metric that might emerge as a biomarker.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
    AtıfScopus1WoS1OpenAlex1
    ScopusWeb of SciencePubMedİncele
  • MakaleYalnız künye2023Scopus SJRQ3
    Predictive value of P wave parameters, indices, and a novel electrocardiographic marker for silent cerebral infarction and future cerebrovascular events

    Cagdas, Metin; Celik, Aziz Inan; Bezgin, Tahir; Baytugan, Nart Zafer; Dagli, Muharrem; Zengin, Ahmet; Ozmen, Caglar; Karakoyun, Suleyman

    Background: Silent cerebral infarction (SCI) is a neuronal injury without a clinically apparent stroke or transient ischaemic attack. Left atrial cardiomyopathy is closely associated with SCI. P wave changes in the electrocardiogram (ECG) provide significant information about the development of atrial cardiomyopathy. This study evaluated the role of P wave parameters and indices and a novel ECG parameter in predicting SCI, future cerebrovascular events, and atrial fibrillation/flutter. Materials and methods: A total of 272 patients were retrospectively screened and divided into two groups according to SCI. Cerebrovascular events and atrial fibrillation/flutter were defined as the study's outcomes. P wave parameters, indices, and a novel ECG parameter called the P wave ratio (PWR) were calculated from ECGs, and the relationship between SCI and outcomes was investigated. Results: The maximum P wave duration (PWD), P wave dispersion (PWdisp), PWD measured from the D2 lead (PWDD2), P wave peak time measured from the D2 lead (PWPTD2), PWPT measured from the V1 lead (PWPTV1), and P wave terminal force (PWTFV1) were significantly longer in the SCI group. Both partial and advanced inter atrial block (IAB) were significantly high in the SCI group. The novel parameter P wave ratio (PWR) was significantly longer in the SCI group (0.55 ± 0.08 vs. 0.46 ± 0.09; p < 0.001). In multivariate regression analysis, PWdisp (OR: 1.101, p < 0.001), PWPTD2 (OR: 1.095, p = 0.017), and PWR (OR: 1.231, p < 0.001) were found to be independent predictors of SCI. Cox regression analysis revealed that the PWR (HR 1.077; 95% CI 1.029–1.128; p = 0.001) was associated with cerebrovascular events and atrial fibrillation/flutter. Conclusion: In our study, we observed that PWR could be a valuable parameter for predicting SCI and future cerebrovascular events.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
    AtıfScopus2WoS3OpenAlex3
    ScopusWeb of SciencePubMedİncele
  • Dergi
    Photodiagnosis and Photodynamic Therapy
  • Dergi
    Clinical Neurology and Neurosurgery
  • Dergi
    American Journal of the Medical Sciences
  • Dergi
    Engineering Science and Technology, an International Journal
  • Dergi
    Journal of Electrocardiology
  • Dergi
    Inorganica Chimica Acta
  • Dergi
    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
  • Dergi
    Phytomedicine Plus
  • Dergi
    Journal of Molecular Structure