Search Results - "Kökbudak, Zülbiye"
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Investigation of structural, electronical and in vitro cytotoxic activity properties of some heterocyclic compounds
Published in Journal of molecular structure (15-12-2021)“…•Some compounds were synthesized and characterized.•All molecules were screened against human cancer cell lines, and a compound showed promising…”
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Drug design of new therapeutic agents: molecular docking, molecular dynamics simulation, DFT and POM analyses of new Schiff base ligands and impact of substituents on bioactivity of their potential antifungal pharmacophore site
Published in Journal of biomolecular structure & dynamics (22-09-2023)“…Since Schiff base derivatives have a wide range of biological activities, novel Schiff base derivatives were designed and synthesized in satisfactory yields. 1…”
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Anticancer activities of various new metal complexes prepared from a Schiff base on A549 cell line
Published in Inorganic chemistry communications (01-01-2020)“…[Display omitted] •Eight new metal complexes were synthesized and characterized.•All compounds (S3–S10) were screened against A549 cell line.•S3–S10 had…”
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4
Determination of the interactions of a schiff base with different targets via molecular docking and cytotoxic activity studies
Published in Journal of the Indian Chemical Society (01-11-2024)“…The pyrimidine nucleus is a vital pharmacophore that exhibits excellent pharmacological activity. A Schiff base containing a pyrimidine nucleus was obtained in…”
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Experimental and theoretical studies on 3-(4-chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydropyrazole-1-carbonitrile: DFT quantum mechanical calculation, vibrational band analysis, prediction of activity spectra, and molecular docking
Published in Journal of molecular structure (15-03-2023)“…•A new compound was synthesized and fully characterized.•Theoretical calculations of compound were done.•PASS analysis of compound was implemented Synthesis,…”
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Synthesis, cytotoxic activity and quantum chemical calculations of new 7-thioxopyrazolo[1,5-f]pyrimidin-2-one derivatives
Published in Journal of molecular structure (15-02-2020)“…The reactions of 1-amino-2-thioxo-1,2-dihydropyrimidin derivatives 1 and 2 with chloroacetyl chloride in the presence of sodium acetate led to the formation of…”
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Design, synthesis, in vitro antiproliferative activity properties, quantum chemical and molecular docking studies of novel Schiff bases incorporating pyrimidine nucleus
Published in Journal of molecular structure (15-04-2022)“…•A series of new compounds were synthesized and fully characterized.•In vitro cytotoxic activities of these compounds were tested against human cell lines.•The…”
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The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2
Published in Zeitschrift für Kristallographie. New crystal structures (01-09-2021)“…FN , monoclinic, (no. 4), = 6.0024(5) Å, = 19.474(2) Å, = 8.3531(8) Å, = 91.750(9)°, = 975.95(16) Å , = 2, ) = 0.0409, ) = 0.0832, T = 294(2) K…”
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Novel Quinoline-Based Thiosemicarbazide Derivatives: Synthesis, DFT Calculations, and Investigation of Antitubercular, Antibacterial, and Antifungal Activities
Published in ACS omega (31-10-2023)“…The discovery of new antimicrobial agents as a means of treating drug-resistant microbial pathogens is of utmost significance to overcome their immense risk to…”
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New Schiff Bases Based on 1-Aminopyrimidin-2-(1H)-one: Design, Synthesis, Characterization and Theoretical Calculations
Published in Heterocycles (01-03-2020)Get full text
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11
Synthesis, characterization, and antimicrobial and catalytic activity of a new Schiff base and its metal(II) complexes
Published in Journal of the Iranian Chemical Society (01-11-2017)“…We presented the synthesis of a new Schiff base and its complexes properties with some transition metal ions in this study…”
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In Silico and In Vitro Antiproliferative Activity Assessment of New Schiff Bases
Published in ChemistrySelect (Weinheim) (21-01-2022)“…In this study, a series of new Schiff bases, based on a pyrimidine core, were synthesized in two steps. The structures of these newly synthesized Schiff bases…”
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Cytotoxic activities of the pyrimidine-based acetamide and isophthalimide derivatives: an in vitro and in silico studies
Published in Molecular simulation (03-07-2023)“…In here, a series of pyrimidin-(1(2H)-yl)acetamide and pyrimidin-(1(2H)-yl)isophthalimide derivatives were synthesised according to literature. The cytotoxic…”
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14
Corrosion inhibition of mild steel in acidic media using new oxo-pyrimidine derivatives: Experimental and theoretical insights
Published in Journal of molecular structure (15-07-2023)“…•These the compounds are 1-(5-(4-Methoxy-benzoyl)−4-(4‑methoxy-phenyl)−2-oxo-2H-pyrimidin-1-yl]-(4‑methoxy-phenyl)-urea (MMOM) and…”
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Corrosion behaviour of new oxo-pyrimidine derivatives on mild steel in acidic media: Experimental, surface characterization, theoretical, and Monte Carlo studies
Published in Applied surface science advances (01-02-2022)“…In this work, the effects of new compounds, namely, 1-amino-5-(4-methylbenzoyl)-4-(4-methylphenyl) pyrimidin-2 (1H)-thione (AMMP), and…”
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The crystal structure of 5-benzoyl-1-[( E )-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1 H )-one, C 24 H 16 FN 3 O 2
Published in Zeitschrift für Kristallographie. New crystal structures (27-09-2021)“…C 24 H 16 FN 3 O 2 , monoclinic, P 2 1 (no. 4), a = 6.0024(5) Å, b = 19.474(2) Å, c = 8.3531(8) Å, β = 91.750(9)°, V = 975.95(16) Å 3 , Z = 2, R gt ( F…”
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Schiff base derivatives against monkeypox virus: Synthesis, in silico, MM-GBSA and SAR properties
Published in Journal of molecular structure (15-02-2024)“…•A pyrimidine-doped schiff base, was synthesized in this study.•Its effect on the activity was investigated by connecting various functional groups with the…”
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18
N -[2-(Benzylideneamino)phenyl]- N ′-phenylurea
Published in IUCrData (28-10-2017)“…In the title compound, C 20 H 17 N 3 O [systematic name: 1-phenyl-3-{2-[( E )- (phenylmethylidene)amino]phenyl}urea], the middle benzene ring forms dihedral…”
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Could pyrimidine derivative be effective against Omicron of SARS-CoV-2?
Published in Bratislavské lékarské listy (01-01-2022)“…BACKGROUNDA pyrimidine based Schiff base was examined in this report. Structural and spectral characterizations were done with Gaussian software. Active sites…”
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Antiquorum Sensing Effect, Theoretical, and X‐Ray Studies of a Schiff Base Molecule Containing Pyrimidine Nucleus
Published in ChemistrySelect (Weinheim) (25-10-2024)“…Compound 4, a Schiff base‐containing pyrimidine moiety, was synthesized from the reaction of N‐amino pyrimidine derivative with 4‐fluorobenzaldehyde. The…”
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