Ni(II) complexes with 1,3,2,4-dithiadiphosphetane 2,4-disulfide-based ligands: Structural insights, theoretical studies, and anticancer activities

Bulat E., SAĞLAM E. G., Zeyrek C. T., AKKOÇ S., ZORLU Y., DAL H.

APPLIED ORGANOMETALLIC CHEMISTRY, cilt.36, sa.10, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 36 Sayı: 10
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1002/aoc.6821
  • Dergi Adı: APPLIED ORGANOMETALLIC CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, BIOSIS, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, Metadex, DIALNET, Civil Engineering Abstracts
  • Anahtar Kelimeler: 2, 4-diorganyl-1, 3, 2, 4-dithiadiphosphetan-2, 4-disulfide, anticancer, density functional theory, dithiophosphonato complexes, perthiophosphonic acid anhydrides, NI-II COMPLEXES, NUCLEAR-MAGNETIC-RESONANCE, COORDINATION POLYMERS, CRYSTAL-STRUCTURE, NMR-SPECTROSCOPY, ANTIBACTERIAL ACTIVITY, INDIVIDUAL GAUGE, SOLID-STATE, DITHIOPHOSPHONATES, NICKEL(II)
  • Anadolu Üniversitesi Adresli: Hayır

Özet

The first synthesis of 2,4-bis(3,4-dimethoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide (SAV-A1 reagent) was achieved. Seven oxo-alkyl esters (HLn) were synthesized thereof. Ni(II) complexes ([Ni(Ln)(2)]) of these ligands were prepared in ethanol. The structures were identified by spectral studies. Ni(II) complexes were unambiguously determined by X-ray crystallography. In addition, the ligands and their Ni(II) complexes were tested on two different human cancer cell lines, including liver and colon. Moreover, density functional theory (DFT) calculations of the Ni(II) complexes were performed, and the molecular docking studies of these compounds with liver cancer protein, PDB ID: 3WZE and colon cancer antigen proteins, ID 2HQ6 were presented to investigate and predict potential interactions.