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

Abstract

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, HS 2 P((2,4-CH 3 O) 2 C 6 H 3 )(ORn); n = 1–3, R1 = 2–butyl–; R2 = n -pentyl-; R3 = 4–tert –but-benzyl-). The acids were converted to the ammonium salts ([NH 4 L n ]) to serve as the source of the ligands (Ln), to obtain Ni(II) complexes, ([N i (L n ) 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.