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

Sarkı G., TÜZÜN B., Ünlüer D., KANTEKİN H.

Inorganica Chimica Acta, cilt.545, 2023 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 545
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1016/j.ica.2022.121113
  • Dergi Adı: Inorganica Chimica Acta
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core
  • Anahtar Kelimeler: Phthalocyanine, Molecular docking, ADME, T, DFT, SPECTROELECTROCHEMICAL PROPERTIES, METAL-FREE
  • Karadeniz Teknik Üniversitesi Adresli: Evet

Özet

Different 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.