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

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• 作者：Yi Chen Chan^a ; Abdussalam Salhin Mohamed Ali^a ; ^{abdussalam@usm.my} ; Melati Khairuddean^a ; Kooi Yeong Khaw^b ; Vikneswaran Murugaiyah^b ; Alireza Basiri^b
• 关键词：Thiosemicarbazone ; Cu(II) complex ; Cholinesterase ; Molecular modeling
• 刊名：Chinese Chemical Letters
• 出版年：2013
• 出版时间：July, 2013
• 年：2013
• 卷：24
• 期：7
• 页码：609-612
• 全文大小：292 K

文摘

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 IC₅₀ values less than 10 ¦Ìmol/L, with complex 1 exhibiting the most activity, IC₅₀ = 2.15 ¦Ìmol/L and 2.16 ¦Ìmol/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.