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Adsorption of methylene blue from aqueous solution using poly(2-acrylamido-2-methyl-1-propanesulfonic acid-co-2-hydroxyethyl methacrylate) hydrogel crosslinked by activated carbon
(Taylor and Francis Ltd., 2023) Ilgın, Pınar; Önder, Alper; Kıvanç, Mehmet Rıza; Özay, Hava; Özay, Özgür
This study aimed to develop an environmentally friendly, inexpensive, and efficient adsorbent for removing methylene blue (MB) dye from wastewater using a three-dimensional porous poly(2-Acrylamido-2-methyl-1-propanesulfonic acid-co-2-Hydroxyethyl Methacrylate), p(AMPS-co-HEMA) composite hydrogel crosslinked with vinyl-functionalized activated carbon (VAC). The surface morphology and chemical structure of the crosslinker were characterized using transmission electron microscopy (TEM), Brunauer-Emmett-Teller (BET) surface area analysis, X-ray spectroscopy (XRD) and Fourier transform-infrared spectroscopy (FT-IR) instruments. The surface morphology, chemical structure and thermal properties of the hydrogel were also characterized using scanning electron microscopy (SEM), FT-IR and thermogravimetric analyzers (TGA). Experimental parameters affecting the adsorption behavior, such as initial dye concentration, time, dosage, pH, and temperature, were systematically investigated. Hydrogel achieved optimal MB removal efficiency (69.53%) at an initial MB concentration of 250 mg/L (1 mg/mL, pH not adjusted) over 24 h. Adsorption kinetics, isotherm, thermodynamic studies, and reusability were investigated. Experimental adsorption isotherm and kinetic data followed the Langmuir model and pseudo-second-order kinetics with a maximum adsorption capacity of 284.90 mg/g hydrogel at 293 K. Thermodynamic findings proved the spontaneity and endothermic behavior of the adsorption process. After 5 adsorption-desorption cycles, the adsorption capacity of the composite hydrogel decreased by only 7.51 mg/g compared to the initial adsorption capacity.
Anticancer, Antioxidant, Antimicrobial Activities, and HPLC Analysis of Alcoholic Extracts of Parthenocissus quinquefolia L. Plant Collected from Çanakkale
(Çanakkale Onsekiz Mart University, 2024) Önder, Ferah Cömert; Kalın, Sevil; Maraba, Özlem; Önder, Alper; Ilgın, Pınar; Karabacak, Ersin
This study aimed to contribute to revealing the health effects of the Parthenocissus quinquefolia L. (PQ) plant by examining the biological activities of various extracts of the plant. An ethnobotanical important medicinal plant, PQ belongs to the Vine family (Vitaceae) and is known for its medicinal uses. Herein, fruit and leaf alcoholic extracts of the plant exhibited anticancer activity on triple negative breast cancer (TNBC) cell lines, estrogen receptor positive (ER+) (MCF-7), and human colon adenocarcinoma (HT-29) cancer cell lines. Furthermore, fruit methanol extracts displayed strong radical scavenging activity with low IC50 values such as 0.51 mg/mL, 0.80 mg/mL, 0.84 mg/mL, and 1.45 mg/mL. The highest TEAC values (18.72 mM Trolox/mg, 9.90 mM Trolox/mg, and 8.41 mM Trolox/mg) were calculated for the extracts of red leaves. The antifungal activity was determined against Candida albicans as fungal pathogen. The cell apoptosis with methanol extract was obtained between 20 µg/mL and 70 µg/mL for 48 h and 72 h treatments by Hoechst 33258 staining of nuclei under a fluorescence microscopy. HPLC analysis was performed for methanol extracts to determine major bioactive components. Consequently, this plant extracts may guide to new strategies and may be uses in medicinal applications for further investigations.
Assessment of release and anticancer effect of innovative pH-responsive and antioxidant-biodegradable hydrogel by using Parthenocissus quinquefolia L. extract as a crosslinker
(Elsevier, 2023) Cömert Önder, Ferah; Kalın, Sevil; Önder, Alper; Özay, Hava; Özay, Özgür
The level of toxicity in cancer treatment with chemotherapy can negatively affect the treatment process. Therefore, targeted drug delivery systems play an important role in reducing treatment-related toxicities. Hydrogels with three-dimensional networks are being investigated as drug delivery systems due to their unique properties such as swelling capacity, biocompatibility, and bioavailability. Poly(2-hydroxyethyl methacrylate-co- methacrylic acid)/PQ (p(HEMA-co-MAA)/PQ) hydrogel was prepared by redox polymerization method using Parthenocissus quinquefolia L. (PQ) plant extract, known for its anticancer, antioxidant, and antimicrobial properties, as a crosslinker. PQ hydrogels were prepared with various monomer and cross-linker ratios. The p(HEMAco-MAA)/PQ10 (1:1) with a highly porous structure exhibited high swelling behavior. The phenolic content of p (HEMA-co-MAA)/PQ10 (1:1) hydrogel which has been determined to have high in vitro biodegradability at pH 6.5, increased with the amount of PQ extract used as crosslinker. The pH-responsive, antioxidant, biodegradable, and highly porous p(HEMA-co-MAA)/PQ10 (1:1) hydrogel showed higher doxorubicin (Dox) release behavior at pH 6.5. The Dox-loaded p(HEMA-co-MAA)/PQ10 (1:1) hydrogel drug carrier showed its anticancer effect on inhibition of colonies and cell proliferation against breast cancer cell lines. Our findings show that the p(HEMAco-MAA)/PQ10 (1:1) hydrogel using the PQ plant extract as a crosslinker will be significant potential in combination and cancer therapy studies.
Bazı dört uçlu ligantların Cu (II), Fe (II) ve Ni (II) komplekslerinin termal özellikleri
(Çanakkale Onsekiz Mart Üniversitesi, 2011) Önder, Alper; Baran, Yakup
Yapısında kükürt, azot ve oksijen donör atomları içeren Schiff bazları geçiş metal iyonları ile şelat kompleksleri oluşturur. Schiff bazlarının Cu (II), Ni (II) ve Fe (II) ile koordinasyonu kararlı kompleksler oluşturur. N3O, N2O2, N3S ve N4 donör atomu içeren bazı Schiff bazları hazırlandı ve yapıları GC-MS, FT-IR, 1H ve 13C NMR verileri ile belirlendi. Bu ligantların Cu (II), Ni (II) ve Fe (II) kompleksleri hazırlandı ve yapıları FT-IR, manyetik özellikleri ve termal analiz (TG-DTA) çalışmaları ile belirlendi. Bu komplekslerin termal incelenmesinde ilk basamakta dehidrasyonun gerçekleştiği daha sonra karşı iyon ve ligandın ortamdan ayrıldığı belirlendi. Termal kararlılığa merkez atomunun etkisi, donör atomların, ligantların yapısı ve kompleksin koordinasyon sayısının etkisi tartışıldı.
Boron Containing Curcumin-Like Compound as an Acetylcholinesterase Inhibitor and Anticancer Agent: Synthesis, Biological Evaluation, and Computational Insights
(Humana Press Inc, 2025) Cömert Önder, Ferah; Ural, Kadircan; Önder, Alper; Özpolat, Bülent; Ay, Mehmet
Alzheimer's disease (AD) and cancer are significant global health challenges that highlight the need for the development of new therapeutics. Targeting biological mechanisms involved in both AD and cancer could be an effective treatment strategy for developing novel inhibitors. In this study, we investigated the effect of a newly synthesized boron containing curcumin-like compound as a potential acetylcholinesterase (AChE) inhibitor along with its cytotoxic effects on breast and colorectal cancer cell lines. Compound A exhibited a potent AChE inhibitory activity (IC50 = 22.89 +/- 2.32 nM), demonstrating that it was more effective than the known inhibitors donepezil (IC50 = 28.32 +/- 3.27 nM) and tacrine. Compound A showed a moderate cytotoxic activity on MCF-7 and BT20 cells with the IC50 values 40.70 +/- 2.31 mu M and 41.71 +/- 4.51 mu M, respectively. Throughout molecular dynamics (MD) simulations, the RMSD value of the protein was calculated as 1.56 +/- 0.20 & Aring; and 1.65 +/- 0.19 & Aring; for the complexes of compound A and curcumin, respectively. The interactions with specific amino acid residues such as Tyr124, Tyr337, and Trp86 for AChE, and Trp82, His438, and Tyr332 for BChE were obtained. Additionally, MM/GBSA calculations demonstrated that Compound A had the highest binding free energies (-88.89 +/- 8.34 kcal/mol for AChE and -73.25 +/- 8.83 kcal/mol for BChE) compared to curcumin (-67.87 +/- 5.48 kcal/mol for AChE and -51.68 +/- 5.28 kcal/mol for BChE) and tacrine (-56.67 +/- 2.22 kcal/mol for BChE) were calculated. Overall, these findings suggest that Compound A is a promising agent with its potent AChE inhibitory activity and anticancer potential, making it a valuable candidate for further research in neurodegenerative diseases and cancer therapy.
Design, synthesis, characterization, computational analysis, structure-activity relationship, and investigation of the anticancer potential of novel dibromodibenzoazepine-based hybrid structures
(Springer, 2025) Allito, Azza; Önder, Alper; Cömert Önder, Ferah; Erdoğan, Musa
In this study, ten novel dibromodibenzoazepine-substituted triazole hybrid compounds (AZ1-AZ10) were designed via a molecular hybridization approach and synthesized using click chemistry methodology. In the synthesis, the dibromodibenzoazepine derivative (12) was initially synthesized via bromination. Subsequent propargylation yielded the key intermediate, dibromodibenzoazepine-propargyl derivative (13). The Cu (I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction of propargyl derivative (13) with various substituted azide derivatives afforded the target hybrid compounds in high yields. The structures of these compounds were characterized using various spectroscopic techniques, including H-1 NMR, C-13 NMR, and MS. Among the synthesized compounds, AZ9 was determined to have the highest cytotoxicity on breast and colon cancer cell lines, including BT20, MCF7, MDA-MB-231, and HT29 with the IC50 values of 0.54 +/- 0.09 mu M, 1.83 +/- 0.87 mu M, 3.88 +/- 0.15 mu M, and 5.31 +/- 0.38 mu M, respectively. In addition, AZ8 showed the cytotoxicity on BT20 and HT29 cells below 10 mu M. The cytotoxicity of AZ10 in studied cancer cell lines was calculated below 20 mu M. The compounds were investigated by computational analysis including molecular docking, molecular dynamics (MD) simulations, Molecular Mechanics with Generalized Born and Surface Area Solvation (MM/GBSA), and ADME predictions. As a result, AZ8-AZ10 may be promising anticancer agents targeting SphK1 and CDK6 to provide new perspectives for the design and development of novel click products.
Design, synthesis, characterization, in silico studies, and in vitro anticancer evaluation of novel 7-methoxyquinolone-substituted triazole hybrids
(Taylor & Francis Ltd, 2025) Allito, Lemiye; Cömert Önder, Ferah; Demirel, Ramazan; Önder, Alper; Özden, Özkan; Erdoğan, Musa
Aims The quinolone scaffold is a crucial member of the heterocyclic compound family in modern medicinal chemistry, exhibiting a broad range of biological activities. Since 4-quinolones are known to interact with significant drug targets, and due to the remarkable pharmacological properties of 1,2,3-triazole compounds, a molecular hybridization approach was used to design novel 7-methoxyquinolone-substituted triazole hybrid conjugates (QN1-QN11). Materials and methods These hybrid compounds were evaluated to determine their anticancer activities in various breast and colon cancer cell lines, including BT20, MDA-MB-231, MCF7, and HT29. In addition, the apoptotic-like morphological changes in aggressive MDA-MB-231 cells were observed following treatment with the compounds for 48 hours. In silico studies, including molecular docking, molecular dynamics (MD) simulation, and MM/GBSA calculations, were carried out for the synthesized compounds against important cancer drug targets. Results The highly cytotoxic agents QN10 and QN7 were identified with IC50 values of 4.49 ± 0.68 µM and 19.05 ± 1.58 µM in BT20 and HT29 cell lines, respectively. In addition, the morphologically changes were observed on MDA-MB-231 cells. Conclusions These findings show that the synthesized click products are highly cytotoxic agents in cancer cell lines and may be considered as potential candidates for enzyme inhibition.
Effects of Pleurotus Eryngii (DC.) Quél. Mushroom Extracts on Cell Proliferation in Breast and Colon Cancer Cell Lines
(Çanakkale Onsekiz Mart University, 2024) Cömert Önder, Ferah; Davutlar, Gülce; Önder, Alper; Allı, Hakan; Ay, Mehmet
This study was aimed to collect Pleurotus eryngii (DC.) Quél. edible/medicinal mushroom from Çanakkale/Kumkale and to evaluate the antiproliferative effects of alcoholic extracts on breast and colon cancer cell lines. For this purpose, the Soxhlet method prepared methanol and ethanol:H2O (70:30) extracts by gradually increasing solvent polarities. Then, breast (MDA-MB-231, BT-549, BT-20, MCF-7) and colon (HT-29) cancer cell lines were treated with the extracts in increasing concentrations (0.05-0.5 mg/mL) for 48 h. In conclusion, methanol and aqueous ethanol extracts exhibited significant antiproliferative effects in cancer cell lines, according to the MTT assay. The cell viability in the triple-negative breast cancer (TNBC) MDA-MB-231 cell line was highly decreased by methanol extract at a very low concentration (0.1 mg/mL). Furthermore, methanol extract at 0.3 mg/mL reduced the percentage of cell viability in the HT-29 cell line. Aqueous ethanol extract showed antiproliferative activity in breast and colon cancer cell lines at 0.25 mg/mL concentration for 48 h applications. In addition, some bioactive components such as 4-hydroxy flavone, chrysin, and tannic acid of aqueous ethanol extract have been determined by High-Performance Liquid Chromatography (HPLC) analysis. As a result, this study may increase interest in the studies on the anti-cancer activities and the mechanisms of P. eryngii mushroom.
Hidrojen üretimi için çeşitli metal kompozitlerin geliştirilmesi
(Çanakkale Onsekiz Mart Üniversitesi, 2016) Önder, Alper; Özay, Özgür
Bu çalışmada, hidrojen depo materyali olarak kullanılan kimyasal maddelerden, hidrojen üretiminde kullanılmak üzere çeşitli katalizör destek malzemeleri (Uçucu kül, Monmorillonit KSF ve Dowex-50 reçine) ve Co(II), Cu(II) ve Ni(II) geçiş metalleri kullanılarak yeni kompozit katalizörler hazırlanmıştır. Elde edilen kompozitlerin, X-Işınları floresans spektrometresi (XRF), Taramalı elektron mikroskobu (SEM) ve ICP–Optik emisyon spektroskopisi (ICP–OES) kullanılarak karakterizasyonu yapılmıştır. Hidrojen depo materyali olarak kullanılan etilendiamin bisboren (EDAB) sentezlenerek, Fourier dönüşümlü kızılötesi spektroskopisi (FT-IR) ve erime noktası tayin cihazı ile karakterizasyonu yapılmıştır. Hazırlanan metal kompozitlerin toplam frekans değeri (TOF), yeniden kullanılabilirliği hidrojen depolayıcı bileşiklerin (EDAB ve NaBH4), hidrolizi ile belirlenmiştir. Hidrojen üretimi, çeşitli bilinen bileşiklerden (EDAB ve NaBH4), hazırlanan katalizörler ile sağlanmıştır. Hidrojen üretiminde katalizör miktarı, tepken derişimi, katalizör türü, destek materyal türü ve sıcaklık etkileri ve farklı sıcaklıklardaki hız sabitleri hesaplanarak, aktivasyon parametreleri (Ea, ?H# ve ?S#) belirlenmiştir.
Highly efficient removal of methyl orange from aqueous media by amine functional cyclotriphosphazene submicrospheres as reusable column packing material
(Elsevier B.V., 2021) Önder, Alper; Özay, Hava
Polyphosphazenes have an important place in material science because they allow functional diversity to be realized easily. In this study, for the first time, synthesis of cyclomatrix-type poly-(cyclotriphosphazene-co-4-(aminomethyl)-1,8-octanediamine) (Phz-AO) particles including different surface features and dimensions have been reported using different stoichiometric ratios of hexachlorocyclotriphosphazene and 4-(aminomethyl)-1,8-octanediamine. The use of Phz-AO (1:2) submicroparticles with spherical form and average dimension of 647.82 ± 22.23 nm as an adsorbent was researched for methyl orange (MO) anionic azo dye. Submicrospheres had significant potential for adsorption of negative charged MO and maximum adsorption capacity of 1244.7 mg.g − 1. The submicrospheres displayed high adsorption potential at pH ≤6 conditions thanks to their surface amine groups. The maximum adsorption capacity in synthetic textile wastewater was 912.75 mg.g−1 as experimental. While the adsorption kinetics had the pseudo second order model, the most suitable model for adsorption was the Langmuir isotherm. The thermodynamic parameters for MO adsorption with submicrospheres were 10.02 ± 1.81 kj.mol−1 for ΔH°, 61.08 ± 5.74 j.mol−1.K−1 for ΔS° and ΔG° (kj.mol−1)<0. In light of all data obtained, the Phz-AO (1:2) submicrospheres which can be easily prepared with a single-step reaction are expected to be a remarkable member of the super adsorbent material family.
Kanser Tedavisinde Sfingozin Kinaz 1 İnhibitörleri Olarak Potansiyel Fitokimyasallar Üzerine Sanal Tarama, Moleküler Yerleştirme ve Moleküler Dinamik Simülasyon Çalışmaları
(International Society of Academicians, 2024) Önder, Alper; Davutlar, Gülce; Ay, Mehmet; Önder, Ferah Cömert
Lipid kinazlar olarak sfingozin kinazlar (SphK), sfingozinin (Sph) sfingozin-1-fosfata (S1P) fosforilasyonunu katalize eder. S1P sinyal yolunu hedeflemek birçok insan hastalığı için önemli bir stratejidir. Burada, tıbbi bir bitkinin ana prenillenmiş biyoaktif bileşenlerini değerlendirdik ve flavonoid bileşiklerle sanal bir tarama çalışması ve ardından hedefe yönelik kanser tedavisi için moleküler yerleştirme ve moleküler dinamik (MD) simülasyonu gerçekleştirdik. In silico ADMET ve ilaca benzerlik sonuçları BIOVIA Discovery Studio (DS) tarafından belirlendi. Moleküler yerleştirme ve moleküler dinamik (MD) simülasyonları, filtrelenmiş ligandlarla birlikte Glide/SP ve Maestro Desmond kullanılarak gerçekleştirildi. Glide/SP yerleştirme sonuçları, ksantohumol (XN), 8-prenilnaringenin (8-PN) ve neobavaizoflavon ile SphK1'e karşı daha yüksek bağlanma ilgisi gösterdi. SphK1'i hedefleyen spesifik amino asit kalıntıları arasında üç molekül güçlü hidrojen bağlanması gösterdi. GROMACS tarafından gerçekleştirilen 200 ns MD simülasyon analizi sırasında SphK1-XN ve SphK1-neobavaizoflavon kompleksleri arasında önemli yapısal değişiklikler görülmedi. XN- ve neobavaizoflavon-protein komplekslerinin ortalama kare sapma (RMSD) ortalama değerleri, serbest SphK1 ile karşılaştırıldığında sırasıyla 0,2626 nm, 0,2589 nm ve 0,2508 nm olarak bulundu. Sonuç olarak XN ve 8-PN ile neobavaizoflavon, daha ileri in vitro ve in vivo çalışmalar için incelenmek üzere SphK1'in potansiyel inhibitör adayları olarak belirlendi
Magnetic hydrogel syntheses and their applications in the environment for the removal of toxic metal ions
(Amer Chemical Soc, 2009) Özay, Özgür; Önder, Alper; Şahan, Tekin; Aktaş, Nahit; Baran, Yakup; John, Vijay T.; Şahiner, Nurettin
[Anstract Not Available]
New and potential boron-containing compounds for treatment of Alzheimer's disease and cancers
(Taylor & Francis Ltd, 2025) Cömert Önder, Ferah; Ural, Kadircan; Önder, Alper; Özpolat, Bülent; Ay, Mehmet
Aim In this study, new boron-containing carbamate compounds were synthesized and evaluated as potential acetylcholinesterase (AChE) inhibitors by in vitro and in silico analyses. Materials & methods The structures were characterized by spectroscopic analysis including 1H NMR, 13C NMR, 11B NMR, and MS. The purities of the compounds were determined by HPLC analysis. In vitro and in silico analyses were performed. Results Based on our findings, compounds (1–4) demonstrated more potent AChE inhibitory activity compared to tacrine, which is an FDA-approved AChE inhibitor. Compound 4 had the highest inhibitory activity with an IC50 of 37.87 ± 0.96 nM and was more effective than tacrine (74.23 ± 0.83 nM). Compounds 1, 2, and 3, respectively, showed 1.78-, 1.73-, and 1.58-fold more potent enzyme inhibition activity compared to tacrine. The strong interactions with critical residues in the binding pocket of AChE were identified between protein and the compounds. Furthermore, compound 4 exerted an antiproliferative activity against various human cancer cell lines (32.91 ± 4.92 µM in HT29 and 42.38 ± 2.73 µM in MCF-7). Conclusion Our study indicates the discovery of new boron-containing AChE inhibitors as potential candidates for the treatment of Alzheimer’s disease and cancer.
Nitro Compounds Inhibit Breast Cancer Cell Proliferation, Migration, and Colony Formation: Molecular Docking, Molecular Dynamics Simulations and Pharmacological Properties
(John Wiley and Sons Inc, 2023) Cömert Önder, Ferah; Şahin, Nebahat; Davutlar, Gülce; Önder, Alper; Ay, Mehmet
In this study, the concept of combined in vitro and in silico studies were utilized by using some synthesized nitro bearing compounds. The anticancer activities of the studied compounds were performed by using colony formation analysis, cell cytotoxicity, and migration. Nitro group containing two compounds were analyzed using Hoechst staining to indicate the morphological changes on the nuclei of cancer cells under fluorescence microscopy. Scanning electron microscopy (SEM) analysis was performed with N,N-dibutyl-nitro-substituted compound. Nitro containing anticancer agents were shown the inhibition at 1.5 μM and 2 μM concentrations, and nuclear apoptosis was detected. In addition, cell-to-cell interaction on MDA-MB-231 cells was broken and observed morphologic changes following the treatment with N,N-dibutyl-nitro-substituted compound at the effective doses. In general, the other nitro compounds showed cell cytotoxicity at 5 μM, 10 μM, and 20 μM. Two hits as anticancer agents were determined as potential interleukin-1 receptor-associated kinase 1 (IRAK1) and interleukin-1 receptor-associated kinase 4 (IRAK4) inhibitor candidates. Molecular docking and molecular dynamics (MD) simulations studies will provide that the binding patterns with specific residues such as Met265, Tyr284 of the IRAK family members, and these will contribute to further in vitro and in vivo studies for targeted breast cancer therapy.
Novel benzothiazole/benzothiazole thiazolidine-2,4-dione derivatives as potential FOXM1 inhibitors: In silico, synthesis, and in vitro studies
(Wiley-V C H Verlag Gmbh, 2024) Abusharkh, Khaled A. N.; Cömert Önder, Ferah; Çınar, Venhar; Önder, Alper; Sıkık, Merve; Hamurcu, Zuhal; Özpolat, Bülent; Ay, Mehmet
The oncogenic transcription factor FOXM1 overexpressed in breast and other solid cancers, is a key driver of tumor growth and progression through complex interactions, making it an attractive molecular target for the development of targeted therapies. Despite the availability of small-molecule inhibitors, their limited specificity, potency, and efficacy hinder clinical translation. To identify effective FOXM1 inhibitors, we synthesized novel benzothiazole derivatives (KC10-KC13) and benzothiazole hybrids with thiazolidine-2,4-dione (KC21-KC36). These compounds were evaluated for FOXM1 inhibition. Molecular docking and molecular dynamics simulation analysis revealed their binding patterns and affinities for the FOXM1-DNA binding domain. The interactions with key amino acids such as Asn283, His287, and Arg286, crucial for FOXM1 inhibition, have been determined with the synthesized compounds. Additionally, the molecular modeling study indicated that KC12, KC21, and KC30 aligned structurally and interacted similarly to the reference compound FDI-6. In vitro studies with the MDA-MB-231 breast cancer cell line demonstrated that KC12, KC21, and KC30 significantly inhibited FOXM1, showing greater potency than FDI-6, with IC50 values of 6.13, 10.77, and 12.86 mu M, respectively, versus 20.79 mu M for FDI-6. Our findings suggest that KC12, KC21, and KC30 exhibit strong activity as FOXM1 inhibitors and may be suitable for in vivo animal studies. The oncogenic transcription factor FOXM1, overexpressed in breast and other cancers, drives tumor growth, making it a key therapeutic target, but existing inhibitors lack specificity and potency. Among the synthesized benzothiazole derivatives (KC10-KC13) and benzothiazole-thiazolidine-2,4-dione hybrids (KC21-KC36), KC12, KC21, and KC30 significantly inhibited FOXM1 in MDA-MB-231 cells at lower concentrations compared to FDI-6. image
Novel Dibenzoazepine-Substituted Triazole Hybrids as Cholinesterase and Carbonic Anhydrase Inhibitors and Anticancer Agents: Synthesis, Characterization, Biological Evaluation, and In Silico Studies
(Amer Chemical Soc, 2024) Erdoğan, Musa; Önder, Alper; Demir, Yeliz; Cömert Önder, Ferah
The new dibenzoazepine-substituted triazole hybrids (12-20) were designed by molecular hybridization approach and synthesized utilizing the Cu(I)-catalyzed click reaction. The hybrid structures (12-20) were obtained in high yields (74-98%) with a simple two-step synthesis strategy and fully characterized. These compounds were assessed for their influence on various metabolic enzymes including human carbonic anhydrase isoenzymes (hCA I and hCA II), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE). The Ki values for the compounds concerning hCA I, hCA II, AChE, and BChE enzymes were in the ranges 29.94-121.69, 17.72-89.42, 14.09-44.68, and 1.15-48.82 nM, respectively. Compound 13 was 49.70-fold more active than tacrine (standard drug) for BChE and 5.49-fold for AChE. Compound 14 was 4.16-fold more active than acetazolamide (standard drug) for hCA I and 5.79-fold for hCA II. The cytotoxic effects of the synthesized click products were investigated on human triple-negative breast cancer cell lines. The IC50 values of the most effective compounds were calculated between 12.51 +/- 1.92 and 18.07 +/- 2.14 mu M in MDA-MB-231 and BT-549 cells. Molecular docking and ADME predictions were performed. Then, in vitro effective compounds were analyzed by molecular dynamics (MD) simulation and MM/GBSA calculation. Consequently, click products showed good cytotoxicity and inhibition potential on colony formation in cancer cells.
Pektin/p(HEMA-ko-AAc) Hidrojellerine Gömülü Gümüş Nanopartiküllerin Yeşil Sentez Yöntemi olarak Parthenocissus quinquefolia L. Bitki Özütü ile Üretilmesi
(Çanakkale Onsekiz Mart Üniversitesi, 2023) Kıvanç, Mehmet Rıza; Önder, Alper; Önder, Ferah Cömert; Ilgın, Pınar
Pektin/p(HEMA-ko-AAc)/AgNP nanokompozit hidrojeller basit, uygun maliyetli ve çevre dostu bir işlemle geliştirilmiştir. İlk olarak pektin/p(HEMA-ko-AAc) hidrojeller, aşılama omurgası olarak pektin, 2-hidroksietil metakrilat ve akrilik asit (HEMA ve AAc) monomerleri, N,N'- metilenbisakrilamid (MBA) çapraz bağlayıcısı ve amonyum persülfat (APS) - N,N,N',N'-tetrametil etilendiamin (TEMED) redoks başlatıcı çifti ile serbest radikal polimerizasyonu yoluyla sentezlendi. Pektin/p(HEMA-ko-AAc) hidrojellerinin kimyasal yapısı Fourier dönüşümü kızılötesi spektroskopisi (FTIR) ve yüzey özellikleri taramalı elektron mikroskobu (SEM) ile aydınlatıldı. Daha sonra, gümüş iyonları hidrojel matrisine dahil edildi ve gümüş nanopartiküller, Parthenocissus Quinquefolia L yaprak özütü kullanılarak gümüş iyonlarının (Ag+) yerinde indirgenmesiyle pektin/p(HEMA-ko-AAc)/AgNP nanokompozit hidrojeli geliştirildi. Hazırlanan nanokompozit hidrojeli geçirimli elektron mikroskobu (TEM) ile karakterize edilerek AgNP’lerin boyutu belirlendi. Son olarak, elde edilen nanokompozit hidrojellerin antimikrobiyal aktivitesi Bacillus Cereus (gram-pozitif) ve Escherichia Coli (gram-negatif) bakteri türleri üzerine yapılırken, antifungus etkisi ise Candida albicans fungusu üzerine disk difüzyon yöntemi kullanılarak yapılmıştır
Preparation of antioxidant-biodegradable poly(acrylic acid-co-2-hydroxyethyl methacrylate) hydrogel using rutin as a crosslinker: Drug release and anticancer activity
(Elsevier, 2023) Cömert Önder, Ferah; Önder, Alper; Ilgın, Pınar; Özay, Hava; Özay, Özgür
It is important to develop drug-release systems that reduce the side effects of chemotherapy drugs, can regulate drug release, and can be designed for a target to keep the quality of life of cancer patients high. In this study, a polyphenol compound rutin was used as a natural crosslinker to prepare poly(acrylic acid-co-2-hydroxyethyl methacrylate)/rutin (RTN hydrogel) as a drug carrier. The swelling behavior, thermal stability, in vitro biodegradability, and antioxidant activity of this hydrogel were determined. The prepared hydrogel had in vitro biodegradability and antioxidant properties. The maximum doxorubicin (DOX) amount adsorbed by the RTN hydrogel was 32.96 ± 1.83 mg/g. The DOX-loaded RTN hydrogel displayed drug release behavior in normal and cancer cell media. At the same time, the effect of the DOX-loaded hydrogel on triple negative breast cancer (TNBC) cell lines was investigated. Our results show that the RTN hydrogel, prepared using the natural product of rutin as a crosslinker with in vitro biodegradability and antioxidant properties, offers great promise as a high-impact carrier in the drug distribution system.
Preparation of Cationic Composite Hydrogel Improved by Activated Carbon and Its Use in Removal of Anionic Dye
(Iğdır Üniversitesi, 2023) Önder, Alper
Water-insoluble p(AETAC)/AC composite hydrogels containing quaternary ammonium were prepared by free-radical polymerisation method with [2-(Acryloyloxy)ethyl]trimethylammonium chloride (AETAC) and activated carbon (AC). The composite hydrogel was characterized by Fourier Transform Infrared Spectroscopy (FT-IR), Thermogravimetric analysis (TGA), X-Ray Diffraction (XRD), and Scanning Electron Microscopy (SEM) methods. In addition, the swelling behavior of p(AETAC)/AC composite hydrogels containing 50 mg, 75 mg, 100 mg, and 150 mg AC in deionized water was investigated. The swelling capacity of the p(AETAC)/AC75 composite hydrogel containing 75 mg AC in various waters was determined. Initial dye concentration, contact time, pH of dye solution, amount of adsorbent, and temperature parameters affecting MO adsorption of p(AETAC)/AC75 composite hydrogel were investigated. The obtained adsorption data agree with the Langmuir isotherm model and the PFO kinetic model. It was determined that the maximum adsorption ability of p(AETAC)/AC75 composite hydrogel according to Langmuir isotherm was 909.09 mg/g. ΔH° and ΔS° values for the adsorption of MO dye-stuff of p(AETAC)/AC75 composite hydrogel were calculated as 22.25 ± 1.43 and 85.40 ± 4.60, respectively. In addition, the value of ΔG° less than zero at four different temperatures indicates that the dye adsorption is spontaneous. According to all the data obtained, p(AETAC)/AC75 composite hydrogel can be considered a promising candidate for the removal of anionic dyestuffs from water.
Preparation of composite hydrogels containing fly ash as low-cost adsorbent material and its use in dye adsorption
(Springer Science and Business Media Deutschland GmbH, 2022) Önder, Alper; Ilgın, Pınar; Özay, Hava; Özay, Özgür
Abstract: Recycling industrial wastes is necessary for the economy and the environment. Additionally, it is important to develop high-efficiency adsorbents to prevent severe water pollution caused by wastewater containing dye agents. Here, poly(2-acrylamido-2-methylpropane sulfonic acid)-fly ash composite hydrogel was synthesized with a variety of fly ash proportions with the radical polymerization method. The synthesized composite hydrogel was used for adsorption of methylene blue and methyl orange dyes from water containing dye agents. A variety of parameters such as initial dye concentration, solution pH, anion effects, temperature, contact time and adsorbent amount were investigated for optimization of the adsorption process. The poly(2-acrylamido-2-methylpropane sulfonic acid)-fly ash composite hydrogel was determined to be an effective adsorbent to remove both the cationic dye methylene blue (1438.68 mg g−1) and the anionic dye methyl orange (646.54 mg g−1). Experimental adsorption data were assessed with a variety of isotherm and kinetic models. It was determined that the adsorption of both dye molecules abided by the pseudo-second-order kinetic model. The thermodynamic parameters were determined as ΔH° = − 15.77 ± 5.22 kJ mol−1, ΔS = − 45.05 ± 16.42 J mol−1 K−1 and ΔG° < 0 for MB, ΔH° = − 20.13 ± 4.83 kJ mol−1, ΔS = − 72.87 ± 15.20 J mol−1 K−1 and ΔG° > 0 for MO. In conclusion, a material was synthesized that can be used as a single adsorbent composite material for both anionic and cationic dyes. In addition to the perfect adsorption capacity of this material, it offers reusability and a broad area of application for a variety of dye agents.

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