2,4-Bis(2,4-dimethoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide and its derivatives: Syntheses, structural characterizations, anticancer activities, and theoretical studies on some dithiophosphonato Ni(II) complex

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

JOURNAL OF MOLECULAR STRUCTURE, cilt.1272, 2023 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1272
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1016/j.molstruc.2022.134197
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Anahtar Kelimeler: Perthiophosphonic acid anhydrides, 2, 4-diorganyl-1, 3, 4-dithiadiphosphetan-2, 4-disulfide, Phosphonodithioates, Dithiophosphonates, Organodithiophosphorus compounds, Single crystal X-ray analysis, Density functional theory, Molecular docking, Antiproliferative activity, Anticancer, NUCLEAR-MAGNETIC-RESONANCE, ORGANOPHOSPHORUS COMPOUNDS, CRYSTAL-STRUCTURE, INTERMOLECULAR INTERACTIONS, COORDINATION CHEMISTRY, NMR-SPECTROSCOPY, LIGANDS, CD(II), NI
  • Ankara Üniversitesi Adresli: Evet

Özet

New 2,4-bis(2,4-dimethoxyphenyl)-1,3-dithia-2,4-diphosphetane 2,4-disulfide, (SAV-A2), was synthesized from the reaction P 4 S 10 and 1,3-dimethoxybenzene. SAV-A2 was reacted with alcohols to form dithiophos-phonic acid monoesters (HLn, HS2P((2,4-CH3O)2C6H3)(ORn); n = 1-3, R1 = 2-butyl-; R2 = n-pentyl-; R3 = 4- tert-but-benzyl-). The acids were converted to the ammonium salts ([NH4Ln]) to serve as the source of the ligands (Ln), to obtain Ni(II) complexes, ([Ni(Ln)2]). [Ni(L2)2] crystal structure was elucidated by single-crystal X-ray diffraction analysis. In addition, Density Functional Theory (DFT) calculations of [Ni(L2)2] was performed. The molecular docking studies of the complex with liver cancer protein, PDB ID: 3WZE and colon cancer antigen proteins, ID 2HQ6 were done compare with experimental and the-oretical results. All compounds were tested on liver-and colon cancer cell lines. Among the complexes tested, [Ni(L3)2] showed an activity closer to that of cisplatin against the colon cancer cell line. The other compounds were found to be have less active.(c) 2022 Elsevier B.V. All rights reserved.