Synthesis and molecular modeling study of Cu(II) complexes derived from 2-(diphenylmethylene)hydrazinecarbothioamide derivatives with cholinesterase inhibitory activities

Yi Chen Chan, Abdussalam Salhin Mohamed Ali, Melati Khairuddean, Kooi Yeong Khaw, Vikneswaran Murugaiyah, Alireza Basiri

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Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone (L1-L4) have been synthesized and their Cu(II) complexes (1-4) were afforded via coordination with cupric chloride. All these compounds were characterized by UV-vis and IR spectroscopy together with CHN elemental analysis. NMR spectroscopy was also applied to characterize the ligands. In vitro cholinesterase inhibitory assays for the complexes (1-4) showed IC 50 values less than 10 μmol/L, with complex 1 exhibiting the most activity, IC50 = 2.15 μmol/L and 2.16 μmol/L for AChE and BuChE, respectively. Molecular modeling simulation revealed the binding interaction template for complex 1 with the AChE and BuChE receptors. In DPPH assay, the complexes also showed more in vitro antioxidant activities in comparison to their parent ligands.

Original languageEnglish
Pages (from-to)609-612
Number of pages4
JournalChinese Chemical Letters
Issue number7
Publication statusPublished - Jul 2013
Externally publishedYes


  • Cholinesterase
  • Molecular modeling
  • Thiosemicarbazone Cu(II) complex

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