Yazar "Ozdemir, Ismail" seçeneğine göre listele

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    Alkylation of morpholine and prolidine by phthalimide substituted Ru(II)- NHC catalysts
    (Pergamon-Elsevier Science Ltd, 2024) Akkoc, Mitat; Gurbuz, Nevin; Ozdemir, Ismail
    In this study, a series of benzimidazolium salts and silver-benimidazol-2-ylidene complexes were synthesized. The obtained silver complexes were converted into Ru(II)- benimidazol-2-ylidene complex using the transmetallation method. After elucidating the structures of these Ru(II)-NHC compounds, the synthesized ruthenium complexes were used in the alkylation reaction of cyclic amines to synthesize valuable derivatives such as pyrrolidine and morpholine. Pyrrolidine derivatives are extensively studied for their antimicrobial, antiviral, antifungal, anticancer, anti-inflammatory, anticonvulsant, cholinesterase inhibition, and carbonic anhydrase inhibition properties. Morpholine derivatives are particularly studied in the context of central nervous system (CNS) diseases. The yield of the catalytic products obtained was determined by GC. High selectivity and yield were achieved in the alkylation reactions of heterocyclic structures.
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    CT-DNA- and BSA-binding, molecular docking interactions, and ADME properties of new PEPPSI-type palladium complexes
    (Elsevier, 2026) Sahin, Neslihan; Ustun, Elvan; Tahir, Muhammad Nawaz; Arici, Cengiz; Gurbuz, Nevin; Ozdemir, Ismail; Semeril, David
    The synthesis and characterization of three novel PEPPSI-type complexes, dichloro[1-allyl-3-(2-methylbenzyl)benzimidazole-2-ylidene]pyridine palladium(II) (2a), dichloro[1-allyl-3-(2-chlorobenzyl)-benzimidazole-2ylidene]pyridine palladium(II) (2b) and dichloro[1-allyl-3-(3-methylbenzyl)-benzimidazole-2-ylidene]pyridine palladium(II) (2c) were carried out. The structure of the complexes was elucidated by elemental analysis, NMR and IR spectroscopy. In addition, the structure of complex 2c was confirmed through single-crystal X-ray diffraction. BSA and DNA binding properties of the designed complexes were evaluated spectroscopically by Benesi-Hildebrand method. According to both DNA- and BSA-binding experiments, 2b has the best binding affinity with 3.06x104 M- 1, and 2.5x104 M- 1, respectively. Also, the bindings of the complexes were also evaluated by molecular docking methods, which gave accordance results with experimental ones. Additionally, complexes were analyzed ADME properties to get insight into drug-likeness, and pharmacokinetic evaluation and the complexes were coherent with Veber and Egan rules.
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    Dichloro-Bis(1-Alkyl/Styryl-Benzimidazole)-Cobalt(II) Pre-Catalyst for Ethylene Dimerization
    (Mdpi, 2025) Hkiri, Shaima; Sahin, Neslihan; Sabourin, Romain; Brandt, Remi; Ozdemir, Ismail; Semeril, David
    A series of five cobalt(II) complexes, dichloro-bis(1-benzyl-benzimidazole)-cobalt(II) (1a), dichloro-bis[1-(4-fluorobenzyl)-benzimidazole]-cobalt(II) (1b), dichloro-bis((Z)-1-styryl-benzimidazole)-cobalt(II) (1c), dichloro-bis[(Z)-1-(2-fluorostyryl)-benzimidazole]-cobalt(II) (1d) and dichloro-bis(1-cinnamyl-benzimidazole)-cobalt(II) (1e), were evaluated in ethylene dimerization. Four of these complexes were described for the first time and fully characterized by IR, elemental analysis, mass and NMR spectroscopy. In the solid state, the cobalt atom exhibited a typical tetrahedral geometry and was found to be coordinated to two chlorine atoms and two benzimidazole rings. In the presence of 20 bar of ethylene and diethylaluminium chloride as a co-catalyst, the complex with styryl substituents on the benzimidazole rings, complex 1c, exhibited the highest activity with a turnover frequency of 3430 mol(ethylene)mol(Co)-1h-1.
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    Enhanced catalytic performance of silica-supported Pd-NHC complexes in Suzuki-Miyaura coupling reactions
    (Elsevier, 2025) Akkoc, Mitat; Koc, Hatice Kubra; Ozdemir, Ismail
    Since silica-supported catalysts are effective due to their rigid but porous structure, which lacks thermal and chemical stability and swelling properties, the characteristic structure of this heterogeneous catalyst we synthesized was elucidated using methods such as NMR, XRD, FTIR, SEM, DTA, and TGA. In this study, benzimidazolium salt was first synthesized and then converted into a Pd-NHC complex. The synthesized Pd-NHC complex was bonded to the SiO2 structure, and heterogeneous SiO2@NHC@Pd was synthesized. The Suzuki-Miyaura C-C coupling reaction of this SiO2@NHC@Pd catalyst was successfully carried out under mild conditions in the presence of green solvents.
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    Molecular docking and in vitro anticancer studies of silver(I)-N-heterocyclic carbene complexes
    (Cell Press, 2022) Akkoc, Mitat; Khan, Siraj; Yuce, Hande; Turkmen, Nese Basak; Yasar, Seyma; Yasar, Sedat; Ozdemir, Ismail
    A series of symmetric and unsymmetrical benzimidazolium-based N-heterocyclic carbene (NHC) precursors (1a-i) and their silver complexes (2a-i) have been synthesized. The Ag(I)-NHC complexes were characterized by H-1, C-13 {H-1} NMR, FTIR, LC/MS-QTOF, and elemental analysis. Anticancer and cytotoxic activity of all Ag(I)-NHC complexes were tested against healthy fibroblast cell line (L929), breast cancer cell line (MCF-7), and neuro-blastoma cell line (SH-SY5Y) by MTS [3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4sulfo-phenyl)-2H-tetrazolium] assay. The 2b, 2c, 2e, 2g, 2h, and 2i complexes showed higher cytotoxicity than cisplatin against SH-SY5Y and MCF-7 and lower cytotoxic activity against L929 cell lines. Because of their high cytotoxic activity against cancer cells and low cytotoxicity against healthy fibroblast cell lines, the 2b, 2c, 2e, 2g, 2h, and 2i are expected to be new lead compounds. In addition, molecular docking studies were performed to explore the binding interactions of silver complexes with the enzyme to explore new anticancer compounds. Furthermore, ADME properties of all complexes were predicted to explore lead-like characteristics and may be a potential drug candidate for cancer treatment.
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    Silver(I)-NHC Complexes as Dual-Action Agents Against Pathogenic Acanthamoeba Trophozoites: Anti-Amoebic and Anti-Adhesion Activities
    (Mdpi, 2025) Hkiri, Shaima; Sahin, Neslihan; Akin-Polat, Zubeyda; Ustun, Elvan; Ly, Bui Minh Thu; Ozdemir, Ismail; Semeril, David
    A series of six silver(I) complexes, namely bromo(1-benzyl-3-cinnamyl-benzimidazol-2-ylidene)silver (I) (1a), bromo[1-(4-methylbenzyl)-3-cinnamyl-benzimidazol-2-yliden]silver(I) (1b), bromo[1-(3-methoxylbenzyl)-3-cinnamyl-benzimidazol-2-yliden]silver(I) (1c), bromo[1-(3,5-dimethoxy-benzyl)-3-cinnamyl-benzimidazol-2-ylidene]silver(I) (1d), bromo[1-(naphthalen-1-ylmethyl)-3-cinnamyl-benzimidazol-2-ylidene]silver(I) (1e) and bromo[1-(pyren-1-ylmethyl)-3-cinnamyl-benzimidazol-2-yliden]silver(I) (1f), were synthetized and characterized by microanalyses and mass spectrometry and characterized by FT-IR and NMR spectroscopic techniques. The in vitro effects of silver(I) complexes on trophozoites of two Acanthamoeba isolates obtained from patients with keratitis were investigated. The parasites were exposed to concentrations of 10, 100 and 1000 mu M for 24, 48 and 72 h. The complexes exhibited potent, dose- and time-dependent activity. Complete inhibition was observed within 24 h at a concentration of 1000 mu M. At a concentration of 100 mu M, complexes 1c-e exhibited reduced viability to less than 10% within 48 to 72 h. At a concentration of 10 mu M, partial inhibition was observed. Preliminary morphological changes included the loss of acanthopodia, rounding, and detachment. These effects were not observed in the presence of the pre-ligands or commercially available silver compounds. Furthermore, molecular docking was utilized to analyze the molecules against Acanthamoeba castellanii CYP51, A. castellanii profilin IA, IB, and II. The highest recorded interactions were identified as -9.85 and -11.26 kcal/mol for 1e and 1f, respectively, when evaluated against the A. castellanii CYP51 structure.
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    Silver-N-Heterocyclic Complexes Against Leishmania major: In Vitro, In Vivo and In Silico Therapeutic Activities
    (Mdpi, 2026) Sahin, Neslihan; Polat, Zubeyda Akin; Gulpinar, Derya Gul; Atas, Ahmet Duran; Ustun, Elvan; Ozdemir, Ismail; Semeril, David
    Background/Objectives: Cutaneous leishmaniasis (CL) is a prevalent vector-borne disease characterized by a broad spectrum of clinical manifestations resulting from protozoan parasites belonging to the genus Leishmania. The challenges associated with the treatment of CL are attributable to various factors, including but not limited to: drug resistance, the adverse effects of conventional therapeutic interventions and the imperative for novel therapeutic alternatives to address the global health burden posed by this neglected tropical disease. Methods: In this study, The therapeutic efficacy of two silver(I)-N-heterocyclic carbene (NHC) complexes, namely chloro[1-methallyl-3-(2,4,6-trimethylbenzyl)-5,6-dimethylbenzimidazole-2-ylidene]silver(I) (2a) and chloro[1-methallyl-3-(4-chlorobenzyl)-5,6-dimethylbenzimidazole-2-ylidene]silver(I) (2b), was evaluated against promastigotes in vitro and in vivo in an experimentally induced CL model in Balb/c mice. Results: The findings of this study indicated that these compounds possess the potential to function as effective therapeutic agents, particularly in the treatment of CL. Subsequently, the silver(I) complexes were analyzed by means of molecular docking against LaGP63, LaARG, N-myristoyltransferase and farnesyl pyrophosphate synthase. Conclusions: According to the docking evaluations, complex 2a emerged as the most notable molecule in terms of its potential antileishmanial activity.
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    Systematic study on the catalytic performance of NHC-ligated silver(I) complexes
    (Elsevier Science Sa, 2026) Akkoc, Mitat; Onder, Belgin; Evren, Enes; Karaca, Emine Ozge; Gurbuz, Nevin; Ozdemir, Ismail
    This study reports the synthesis of novel N-heterocyclic carbene (NHC) ligated silver(I) complexes, which are gaining increasing attention as versatile catalysts in organic synthesis. The structural properties of the synthesized compounds were elucidated in detail using various spectroscopic and thermal analysis techniques, including FTIR, NMR spectroscopy, and melting point determination. These analyses confirmed the successful formation of the complexes and verified that they exhibited the expected molecular structures. The low cost and unique chemical properties of silver make it an attractive alternative to other transition metals. In this context, the catalytic potential of the synthesized Ag-NHC complexes was investigated in the A3 coupling reaction, a key method for the synthesis of propargylamines. The A3 reaction is a crucial step in the formation of nitrogencontaining compounds of significant importance in pharmaceutical and natural product chemistry. Experimental results demonstrated that the Ag-NHC complexes effectively catalyzed the reaction, leading to high yields. In conclusion, this research successfully achieved the synthesis and characterization of new Ag-NHC complexes. Following the acquisition of structural analysis data, their catalytic activity in the A3 coupling reaction was successfully investigated.