TY - JOUR
T1 - Synthesis and molecular modeling study of Cu(II) complexes derived from 2-(diphenylmethylene)hydrazinecarbothioamide derivatives with cholinesterase inhibitory activities
AU - Chan, Yi Chen
AU - Mohamed Ali, Abdussalam Salhin
AU - Khairuddean, Melati
AU - Khaw, Kooi Yeong
AU - Murugaiyah, Vikneswaran
AU - Basiri, Alireza
N1 - Funding Information:
The authors would like to thank Universiti Sains Malaysia – Science Fund Grant No. 1001/PKIMIA/823003 and RU Grant No. 1001/PKIMIA/811196 for the financial support of this work.
Copyright:
Copyright 2013 Elsevier B.V., All rights reserved.
PY - 2013/7
Y1 - 2013/7
N2 - 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.
AB - 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.
KW - Cholinesterase
KW - Molecular modeling
KW - Thiosemicarbazone Cu(II) complex
UR - http://www.scopus.com/inward/record.url?scp=84879056822&partnerID=8YFLogxK
U2 - 10.1016/j.cclet.2013.04.013
DO - 10.1016/j.cclet.2013.04.013
M3 - Article
AN - SCOPUS:84879056822
SN - 1001-8417
VL - 24
SP - 609
EP - 612
JO - Chinese Chemical Letters
JF - Chinese Chemical Letters
IS - 7
ER -