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


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

APPLIED ORGANOMETALLIC CHEMISTRY, 2022 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Publication Date: 2022
  • Doi Number: 10.1002/aoc.6821
  • Title of Journal : APPLIED ORGANOMETALLIC CHEMISTRY
  • 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)

Abstract

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.