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- MakaleYalnız künye2026Scopus SJRQ3Synthesis and cytotoxic activity studies of novel heterocyclic thiosemicarbazone compounds as anticancer agents
Güllü, Eda; Hasanoğlu Özkan, Elvan; Kızıl, Hamit Emre; Nartop, Dilek
Herein, novel heterocyclic thiosemicarbazone compounds (Hb1, Hb2, Hb3) containing pyrimidine, imidazole, pyridine, and phenyl rings were synthesized via the condensation method as potential therapeutic agents for the treatment of non-small cell lung cancer. The structure of novel heterocyclic compounds was elucidated by using some spectroscopic techniques (organic elemental analysis, fourier transform infrared spectroscopy, proton/carbon nuclear magnetic resonance spectroscopy, scanning electron microscopy and energy dispersive X-ray image, and molar conductance measurement). The antiproliferative activity of novel heterocyclic thiosemicarbazone compounds using CVDK-8 cell viability assay. The viability assay was examined against A549 human non-small cell lung cancer cell line. All heterocyclic thiosemicarbazone compounds exhibited varying degrees of dose-dependent cytotoxic activity against A549 NSCLC cells. The results showed that the pyridine-based heterocyclic compound (Hb3) was the most potent antiproliferative agent, demonstrating a dose-dependent reduction in cell viability at concentrations of 50 µg/mL and higher.
- MakaleAçık Erişim2026Scopus SJRQ2Synthesis and pharmacokinetic profiling of a novel pyrimidine imidazole based thiosemicarbazone derivative for BRAF inhibition in lung cancer therapy
Ekincioğlu, Yavuz; Kızıl, Hamit Emre; Güllü, Eda; Özkan, Elvan Hasanoğlu; Nartop, Dilek
This study presents the design, synthesis, and comprehensive evaluation of a novel thiosemicarbazone derivative containing a pyrimidine-imidazole (C11H11N8SCl) as a potential BRAF inhibitor for the treatment of non-small cell lung cancer. The compound was synthesized by a condensation reaction and characterized by elemental analysis, molar conductivity, SEM-EDS, FT-IR, 1H, and 13C-NMR spectral techniques. DFT calculations at the B3LYP/6-311 + + G(d, p) level revealed a HOMO-LUMO gap of 2.8 eV, indicating appropriate molecular stability and reactivity. Molecular docking studies with BRAF (PDB ID: 1UWH) demonstrated favorable binding affinity (-6.85 kcal/mol) with key interactions at ILE512, HIS509, HIS584, GLN529, GLU585, LYS590, VAL510, and LEU587 residues. In vitro cytotoxicity assays revealed that the compound possesses anticancer potential against H-460 cells, with a significant inhibitory effect observed at a concentration of 200 µg/mL. Combined with its favorable binding affinity toward BRAF kinase, these results suggest that the pyrimidine-imidazole thiosemicarbazone may serve as a potential lead scaffold for further development in targeted lung cancer therapy.ADME profiling confirmed the compound’s compliance with Lipinski’s rule of five parameters, supporting its potential as an orally active drug candidate. These findings suggest that our pyrimidine-imidazole thiosemicarbazone represents a promising scaffold for the development of targeted BRAF inhibitors for lung cancer therapy.
- MakaleYalnız künye2026Scopus SJRQ2Novel heteroaromatic compounds bearing thiosemicarbazone as anti-cancer and anti-bacterial agents: Synthesis, cytotoxic and biological screening, molecular docking and DFT analysis
Nartop, Dilek; Ögütcü, Hatice; Özkan, Elvan Hasanoglu; Yetim, Nurdan Kurnaz; Kizil, Hamit Emre; Ekincioglu, Yavuz
Novel heteroaromatic compounds (Hc1, Hc2, Hc3, Hc4) were obtained, and their structure were confirmed using various spectroscopic methods, including elemental analysis, fourier transform infrared (FT-IR) spectroscopy, proton and carbon nuclear magnetic resonance (1H/13C-NMR) spectroscopy, and molar conductance measurement. The biological activities of the heteroaromatic compounds against several Gram-positive (Micrococcus luteus ATCC9341, Staphylococcus epidermidis ATCC12228, Bacillus cereus RSKK863, Listeria monocytogenes ATCC 19111), and Gram-negative bacterial strains (Pseudomonas aeruginosa ATCC27853, Klebsiella pneumonia ATCC27853, Enterobacter aerogenes ATCC51342, Salmonella typhi H NCTC9018394, Shigella dysenteriae NCTC2966, Proteus vulgaris RSKK96026) were evaluated using the well-diffusion method. In general, the heteroaromatic compounds demonstrated a stronger inhibitory effect against Gram-positive bacteria. Hc1, Hc2 and Hc3 showed the highest inhibitory effect against B. cereus and L. monocytogenes. The compound (Hc4) showed the highest antibacterial activity and antifungal activity against Bacillus cereus and C. albicans, respectively. The cytotoxic activity of the heteroaromatic compounds was assessed against the non-small cell lung cancer cell line (NCI-H460) using the NutriCulture Cell Viability Detection Kit-8 (CVDK-8). Among the synthesized heteroaromatic compounds, Hc3 exhibited significant cytotoxic activity with an IC50 value of 141.3 & micro;g/mL, whereas compounds Hc1, Hc2, and Hc4 did not display significant toxicity at the tested concentrations. The molecular geometry of the heteroaromatic compound (Hc3) was optimized using Gaussian 09 W at the B3LYP/6-311++G (d,p) level of theory. Key structural parameters such as bond lengths, bond angles, and dihedral angles were determined through the same computational framework. Electronic features, including frontier molecular orbitals, global reactivity descriptors, and molecular electrostatic potential surfaces, were analyzed to explore intramolecular charge distribution and predict reactive sites. To evaluate the biological potential of the heteroaromatic compound (Hc3), molecular docking studies were performed. Additionally, drug-likeness assessment based on Lipinski's Rule of Five and ADME profiling revealed favorable pharmacokinetic characteristics. Molecular docking studies revealed that compound Hc3 showed a binding energy of -4.09 kcal/mol against the EGFR target (PDB ID: 1UWH), exhibiting key interactions such as hydrogen bonding and It-interactions with the active site residues. Based on all the results, it can be said that new heteroaromatic compounds have significant potential in the pharmaceutical field.
AtıfScopus1OpenAlex1
İncele - MakaleAçık Erişim2020Asimetrik Schiff Bazı Ni(II) Komplekslerinin Antimutajenik Aktivitesinin Değerlendirilmesi
Nartop, Dilek; Özkan, Elvan Hasanoğlu; Kizil, Hamit Emre; Agar, Guleray; Sarı, Nurşen
Bu çalışmada, asimetrik Ni(II) kompleksleri (NiL1, NiL2, NiL3, NiL4) potansiyel antimutajen özelliklerini incelemek için son zamanlarda grubumuzdan biri tarafından rapor edilen yeni iki aşamalı bir yöntem ile hazırlandı. Lenfositlerdeki sodyum azid kaynaklı antimutagenik etki, kardeş kromatid değişimi (SCE) ve mikronükleus (MN) yöntemleriyle belirlendi. Sentezlenen bileşiklerin antimutagenik özelliklere sahip olduğu ve pozitif kontrol olarak kullanılan sodyum azid (NaN3) 'ün neden olduğu mutajeniteyi azalttıkları belirlenmiştir.
AtıfOpenAlex3
İncele - MakaleAçık Erişim2020Synthesis of novel polymers containing Schiff base as potential antimutagenic and antimicrobial agents
Nartop, Dilek; Tokmak, Erkan; Özkan, Elvan Hasanoğlu; Kızıl, Hamit Emre; Öğütcü, Hatice; Ağar, Güleray; Allı, Sema
In this research study, two novel polymers including Schiff base were prepared by condensation reaction of polystyrene-A-NH2 with 5-nitro-2-thiophenecarboxaldehyde/or 5-(2-nitrophenyl)-2-furancarboxaldehyde. The synthesized polymers were evaluated using the elemental analysis, infrared spectroscopy (IR), gel permeation chromatography (GPC), thermal gravimetric analysis (TG/DTA). In addition, the antimicrobial and antimutagenic study of the polymers were reported. The antibacterial and antifungal activity were investigated using the diffusion method against pathogenic bacterial strains. PA-TC and PA-FC polymers exhibited the highest antimicrobial activity against the S. typhi H. and P. vulgaris, respectively. PA-FC polymer revealed the highest antifungal activity against C. albicans. The antimutagenic effects were evaluated using the sister chromatid exchange (SCE) and micronucleus (MN) methods against the sodium azide (NaN3) in human lymphocyte cells. The results demonstrated that the PA-FC polymer have strong antimutagenic properties, especially in the concentration of 20 µg/mL.
AtıfScopus10OpenAlex2İncele - MakaleYalnız künye2018Scopus SJRQ2Anti-genotoxic Effects of Schiff bases and their Mn(III) Complexes Containing L-Aspartic acid and L-Phenylalanine
Hasanoglu Özkan, Elvan; Kizil, Hamit Emre; Sakiyan, Iffet; Nartop, Dilek; Sari, Nursen; Agar, Guleray
The purpose of the research was to evaluate the genotoxic and anti-genotoxic properties of Schiff bases and their Mn (III) complexes containing L-aspartic acid, and L-phenylalanine. The anti-genotoxic properties of four compounds in human lymphocytes cells were investigated by sister chromatid exchanges (SCEs) test system against aflatoxin Bi (AFBi). The results showed that compounds have strong anti-genotoxic properties.
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