Structural, spectral and docking studies of a coordination polymer of zinc(II) formed by a pyridine-derived linker

A mixed ligand zinc coordination polymer, {Zn( -DPE)(DBM) ( ) (HDBM: dibenzoylmethane and DPE: ( )-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of , the zinc atom...

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Published inZeitschrift für Naturforschung. B, A journal of chemical sciences Vol. 73; no. 6; pp. 369 - 375
Main Authors Marandi, Farzin, Moeini, Keyvan, Alizadeh, Fereshteh, Mardani, Zahra, Quah, Ching Kheng, Loh, Wan-Sin
Format Journal Article
LanguageEnglish
Published De Gruyter 27.06.2018
Subjects
coordination polymer
diketone ligands
docking study
nitrogen donor linker
zinc(II)
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Abstract A mixed ligand zinc coordination polymer, {Zn( -DPE)(DBM) ( ) (HDBM: dibenzoylmethane and DPE: ( )-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of , the zinc atom has a ZnN environment with octahedral geometry. These complex units are linked by the bridging of the planar N donor DPE ligands. In the coordination network of complex , in addition to the hydrogen bonds, the network is more stabilized by π–π stacking interactions between pyridine and -diketone moieties of the ligands. These interactions increase the ability of the compound to interact with biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) as investigated by docking calculations.
AbstractList Abstract A mixed ligand zinc coordination polymer, {Zn( μ -DPE)(DBM) 2 } n ( 1 ) (HDBM: dibenzoylmethane and DPE: ( E )-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, 1 H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of 1 , the zinc atom has a ZnN 2 O 4 environment with octahedral geometry. These complex units are linked by the bridging of the planar N 2 donor DPE ligands. In the coordination network of complex 1 , in addition to the hydrogen bonds, the network is more stabilized by π–π stacking interactions between pyridine and β -diketone moieties of the ligands. These interactions increase the ability of the compound to interact with biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) as investigated by docking calculations.
A mixed ligand zinc coordination polymer, {Zn( -DPE)(DBM) ( ) (HDBM: dibenzoylmethane and DPE: ( )-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of , the zinc atom has a ZnN environment with octahedral geometry. These complex units are linked by the bridging of the planar N donor DPE ligands. In the coordination network of complex , in addition to the hydrogen bonds, the network is more stabilized by π–π stacking interactions between pyridine and -diketone moieties of the ligands. These interactions increase the ability of the compound to interact with biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) as investigated by docking calculations.
Author Alizadeh, Fereshteh
Loh, Wan-Sin
Mardani, Zahra
Quah, Ching Kheng
Marandi, Farzin
Moeini, Keyvan
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  fullname: Loh, Wan-Sin
  organization: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
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  doi: 10.1107/S0021889897003117
– ident: 2021062208245778362_j_znb-2018-0043_ref_010_w2aab3b7c73b1b6b1ab2ac10Aa
  doi: 10.1016/j.jlumin.2012.11.026
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Snippet A mixed ligand zinc coordination polymer, {Zn( -DPE)(DBM) ( ) (HDBM: dibenzoylmethane and DPE: ( )-1,2-di(pyridin-4-yl)ethene), was prepared and identified by...
Abstract A mixed ligand zinc coordination polymer, {Zn( μ -DPE)(DBM) 2 } n ( 1 ) (HDBM: dibenzoylmethane and DPE: ( E )-1,2-di(pyridin-4-yl)ethene), was...
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walterdegruyter
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StartPage 369
SubjectTerms coordination polymer
diketone ligands
docking study
nitrogen donor linker
zinc(II)
Title Structural, spectral and docking studies of a coordination polymer of zinc(II) formed by a pyridine-derived linker
URI http://www.degruyter.com/doi/10.1515/znb-2018-0043
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