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, vol.36, no.10, 2022 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 36 Issue: 10
  • Publication Date: 2022
  • Doi Number: 10.1002/aoc.6821
  • Journal Name: Applied Organometallic Chemistry
  • Journal Indexes: 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
  • Keywords: 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)
  • Yozgat Bozok University Affiliated: Yes

Abstract

© 2022 John Wiley & Sons Ltd.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.