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
| Autor: | Seyed Abolfazl Hosseini-Yazdi, Shane G. Telfer, Zahra Mardani, Keyvan Moeini, Alireza Hajabbas-Farshchi, Lotfali Saghatforoush, J. Derek Woollins, Heather T. Jameson |
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| Přispěvatelé: | University of St Andrews. School of Chemistry, University of St Andrews. Office of the Principal, University of St Andrews. EaSTCHEM |
| Rok vydání: | 2018 |
| Předmět: |
Schiff base
Chemistry(all) 010405 organic chemistry General Chemical Engineering chemistry.chemical_element Tetrahedral molecular geometry DAS General Chemistry Zinc QD Chemistry 010402 general chemistry 01 natural sciences Copper 0104 chemical sciences chemistry.chemical_compound Crystallography chemistry Docking (molecular) Chemical Engineering(all) Proton NMR QD Methylene Cobalt |
| Zdroj: | RSC Advances. 8:35625-35639 |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/c8ra07463a |
| Popis: | This study has been supported by the Council of the Payame Noor University, Iran. 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). Publisher PDF |
| Databáze: | OpenAIRE |
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