Yazar "Coskun, Feyzullah" seçeneğine göre listele

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    The first used half sandwich ruthenium(II) complexes bearing benzimidazole moiety for N-alkylation of amines with alcohols
    (Elsevier Science Sa, 2014) Demir, Serpil; Coskun, Feyzullah; Ozdemir, Ismail
    Half sandwich ruthenium(II) complexes were synthesized from [RuCl2(eta(6)-p-cymene)](2) and N-substituted benzimidazole. All new compounds were characterized by elemental analysis, H-1 NMR, C-13 NMR, and IR spectroscopy. Aminoarenes were readily converted into secondary amines by the reaction at 150 degrees C with benzyl alcohol and in the presence of a catalytic amount of novel ruthenium complexes. All of [RuCl2(eta(6)-p-cymene)(N-substituted benzimidazole)] complexes were the most effective catalyst for N-alklyation reaction using borrowing hydrogen methodology. (C) 2014 Elsevier B. V. All rights reserved.
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    Molybdenum Carbonyl Complexes with Benzimidazole Derivatives Against SARS-CoV-2 by Molecular Docking and DFT/TDDFT Methods
    (World Scientific Publ Co Pte Ltd, 2021) Ustun, Elvan; Dusunceli, Serpil Demir; Coskun, Feyzullah; Ozdemir, Ismail
    Benzimidazole derivative molecules attract attention of scientists due to their bioactivities. The dramatic changes in recorded activities according to the type and position of the substituents motivate synthesis and analysis of new molecules. Commercial benzimidazole-based molecules have been used in therapeutic procedures. It is known that the activities of metal complexes with benzimidazole derivative ligands have different activities when compared to the benzimidazole main structure. Nowadays, one of the most important health problems is COVID-19, which caused the pandemic that we are still experiencing. Although vaccine studies are important to overcome acute problems, regarding the possible post-vaccination adverse effects, the need for new drugs against the virus is obvious. Considering the urgency and the limited facilities during the pandemic, preliminary in silico studies of candidate molecules are essential. In this study, {[bis-(N-benzylbenzimidazole)] tetracarbonylmolybdenum}, {[bis-(N-4-chlorobenzylbenzimidazole)] tetracarbonylmolybdenum} and {[bis-(N-4-methoxybenzylbenzimidazole)] tetracarbonylmolybdenum} were synthesized and characterized. The optimization and the structural analysis of these molecules were performed by DFT/TDDFT methods. The molecules were docked into SARS coronavirus main peptidase (PDB ID: 2gtb), COVID-19 main protease in complex with Z219104216 (PDB ID: 5r82), COVID-19 main protease in complex with an inhibitor N3 (PDB ID: 6lu7) and Papain-like protease of SARS-CoV-2 (PDB ID: 6w9c) crystal structures for evaluation of their anti-viral activity. Molybdenum carbonyl complexes containing benzimidazole derivative ligands have been synthesized, characterized, and analyzed structurally by DFT/TDDFT methods. Antiviral activities of the complexes were analyzed by molecular docking methods against some important Coronavirus targets in parallel with the pandemic period we are living in. Inhibitory potency of the complexes toward COVID-19 targeted is compared to some well-known commercial antivirals.
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    A theoretical insight for solvent effect on myoglobin assay of W(CO)4L2 type novel complexes with DFT/TDDFT
    (Elsevier Science Bv, 2016) Ustun, Elvan; Demir, Serpil; Coskun, Feyzullah; Kaloglu, Murat; Sahin, Onur; Buyukgungor, Orhan; Ozdemir, Ismail
    Novel tetracarbonyl complexes of type W(CO)(4)L-2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6-tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, H-1 NMR, C-13 NMR and LC-MS. The characterizations of two of the complexes have also been confirmed with single crystal X-Ray diffraction and OFT optimization results of these complexes have been compared with single crystal results. We have investigated the solvent effect on the structure and metal-to-ligand charge transfer (MLCT) transitions with OFT/TDDFT calculations with ORCA package program with BP86 functional. (C) 2016 Elsevier B.V. All rights reserved.