Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes

Lotfali Saghatforoush*, Keyvan Moeini, Seyed Abolfazl Hosseini-Yazdi, Zahra Mardani, Alireza Hajabbas-Farshchi, Heather T. Jameson, Shane G. Telfer, J. Derek Woollins

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

27 Citations (Scopus)

Abstract

A compartmental Schiff base ligand, 2,2′-((((((2-hydroxypropane-1,3-diyl)bis(oxy))bis(2,1-phenylene))bis(methylene))bis(azanylylidene))bis(methanylylidene))bis(4-bromophenol) (H3LBr) and its complexes with cobalt(ii), copper(ii) and zinc(ii) including, [Co(HLBr)] (1), [Cu2(LBr)(μ-1,3-OAc)]·MeOH (2) and [Zn(HLBr)] (3) were prepared using template synthesis and characterised by elemental analysis, FT-IR and 1H NMR spectroscopies and single-crystal X-ray diffraction. In the structure of complexes 1 and 3 the metal atom has a MN2O2 environment with tetrahedral geometry while complex 2 has a binuclear structure with a MNO4 environment and square planar geometry around the copper atom. The ability of all compounds to interact with the nine biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) are investigated by docking calculations. For examination of the docking results, the in vitro activities of eight compounds against the human leukemia cell line K562 was investigated by evaluation of IC50 values and mode of cell death (apoptosis).

Original languageEnglish
Pages (from-to)35625-35639
Number of pages15
JournalRSC Advances
Volume8
Issue number62
Early online date17 Oct 2018
DOIs
Publication statusE-pub ahead of print - 17 Oct 2018

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