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

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

机构地区：[1]School of Chemical Sciences,Universiti Sains Malaysia [2]Discipline of Pharmacology,School of Pharmaceutical Sciences,Universiti Sains Malaysia

出　　处：《Chinese Chemical Letters》2013年第7期609-612,共4页中国化学快报（英文版）

基　　金：Universiti Sains Malaysia -Science Fund Grant No.1001/PK1M1A/823003 and RU Grant No. 1001/PKIMIA/811196 for the financial support of this work

摘　　要：Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone （L1-La） 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 lR 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 ICso values less than 10 ~molJL, with complex 1 exhibiting the most activity, ICso = 2.15 ~molJL and 2.16 i^molJL for AChE and BuChE, respectively. Molecular modeling simulation revealed the binding interaction template for complex I with the AChE and BuChE receptors. In DPPH assay, the complexes also showed more in vitro antioxidant activities in comt）arison tn their narent li^ands.Thiosemicarbazones of 2-amino-5-chlorobenzophenone and 3-aminobenzophenone （L1-La） 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 lR 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 ICso values less than 10 ~molJL, with complex 1 exhibiting the most activity, ICso = 2.15 ~molJL and 2.16 i^molJL for AChE and BuChE, respectively. Molecular modeling simulation revealed the binding interaction template for complex I with the AChE and BuChE receptors. In DPPH assay, the complexes also showed more in vitro antioxidant activities in comt）arison tn their narent li^ands.

关 键 词：Thiosemicarbazone Cu（II） complex Cholinesterase Molecular modeling 

分 类 号：O627.12[理学—有机化学]