Publication: Ni(II) complexes with 1,3,2,4-dithiadiphosphetane 2,4-disulfide-based ligands: Structural insights, theoretical studies, and anticancer activities
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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.
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Keywords
Kimya, İnorganik Kimya, Diğer, Temel Bilimler, Chemistry, Inorganic Chemistry, Other, Natural Sciences, KİMYA, UYGULAMALI, Temel Bilimler (SCI), KİMYA, İNORGANİK VE NÜKLEER, CHEMISTRY, APPLIED, CHEMISTRY, Natural Sciences (SCI), CHEMISTRY, INORGANIC & NUCLEAR, İnorganik kimya, Kimya (çeşitli), Genel Kimya, Proses Kimyası ve Teknolojisi, Fizik Bilimleri, Chemistry (miscellaneous), General Chemistry, Process Chemistry and Technology, Physical Sciences, 2, 4-diorganyl-1, 3, 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, ACID, DITHIOPHOSPHONATES, 2,4-diorganyl-1,3,2,4-dithiadiphosphetan-2,4-disulfide, 2, 4-diorganyl-1, 3, 2, 4-dithiadiphosphetan-2, 4-disulfide, anticancer, density functional theory, dithiophosphonato complexes, perthiophosphonic acid anhydrides
Citation
Bulat E., Saglam E. G., Zeyrek C. T., Akkoç S., Zorlu Y., Dal H., "Ni(II) complexes with 1,3,2,4-dithiadiphosphetane 2,4-disulfide-based ligands: Structural insights, theoretical studies, and anticancer activities", APPLIED ORGANOMETALLIC CHEMISTRY, cilt.36, sa.10, 2022