Synthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5- benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)-one phthalocyanine derivatives

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dc.contributor.authorSarkı, Gülpınar
dc.contributor.authorTüzün, Burak
dc.contributor.authorÜnlüer, Dilek
dc.contributor.authorKantekin, Halit
dc.date.accessioned2025-05-04T16:42:05Z
dc.date.available2025-05-04T16:42:05Z
dc.date.issued2023
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractDifferent properties of phthalocyanine compounds can be measured both theoretically and experimentally. In this study, tetra substituted phthalocyanines (H2 (2) and CuII (3) were performed using 4-(4-(4-methoxyphenethyl)-3-benzyl-5-oxo-4,5-dihydro-1,2,4 triazol-1-yl)phthalonitrile (1). The structures of all these original compounds synthesized were elucidated using distinctive of spectroscopic techniques.Theoretical comparison of the chemical and biological activities of phthalocyanine molecules and its copper metal complex has been made. Chemical activities were compared with Gaussian software program and biological activities were compared with molecular docking calculations. Used proteins for biological activity are the crystal structure of estrogen receptor protein (from the breast cancer), ID: 1A52, crystal structure of VEGFR kinase protein (from liver cancer), ID: 3WZE, crystal structure of MLK4 kinase (colon cancer) ID: 4UYA, and crystal structure of an allosteric Eya2 phosphatase inhibitor protein (from lung cancer), ID: 5ZMA. After, the interactions between molecules and proteins were determined using the Protein-Ligand Interaction Profiler (PLIP) server. © 2022
dc.description.sponsorshipHigh Performance and Grid Computing Center
dc.description.sponsorshipScientific Research Project Fund of Sivas Cumhuriyet University, (RGD-020)
dc.description.sponsorshipTUBITAK ULAKBIM
dc.identifier.doi10.1016/j.ica.2022.121113
dc.identifier.issn0020-1693
dc.identifier.scopus2-s2.0-85140303377
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.ica.2022.121113
dc.identifier.urihttps://hdl.handle.net/20.500.12418/35064
dc.identifier.volume545
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier B.V.
dc.relation.ispartofInorganica Chimica Acta
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_Scopus_20250504
dc.subjectADME/T
dc.subjectDFT
dc.subjectMolecular docking
dc.subjectPhthalocyanine
dc.titleSynthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5- benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)-one phthalocyanine derivatives
dc.typeArticle

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