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A novel square-planar Pt(ii) complex as a monomeric and dimeric G-quadruplex DNA binder.

ABSTRACT: A novel phenanthroimidazole ethylenediamine Pt(ii) complex with coumarin derivative (1) was synthesized and showed higher affinity, selectivity and thermal stabilization for mixed-type dimeric G-quadruplexes (G2T1) over monomeric G-quadruplexes (G1) and duplex DNA. Complex 1 could bind to G-quadruplexes via end-stacking and external-binding modes.

SUBMITTER: Zhou CQ

PROVIDER: S-EPMC9081585 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature

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A novel square-planar Pt(ii) complex as a monomeric and dimeric G-quadruplex DNA binder.

Zhou Chun-Qiong CQ Li Zi-Qi ZQ Liao Ting-Cong TC Ma Tian-Zhu TZ Chen Shuo-Bin SB Liang Yuan-Yuan YY

RSC advances 20180626 41

A novel phenanthroimidazole ethylenediamine Pt(ii) complex with coumarin derivative (1) was synthesized and showed higher affinity, selectivity and thermal stabilization for mixed-type dimeric G-quadruplexes (G2T1) over monomeric G-quadruplexes (G1) and duplex DNA. Complex 1 could bind to G-quadruplexes <i>via</i> end-stacking and external-binding modes. ...[more]

PMID: 35540167

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Project description:Among Earth-abundant catalyst systems, iron-carbene intermediates that perform C-C bond forming reactions such as cyclopropanation of olefins and C-H functionalization via carbene insertion are rare. Detailed descriptions of the possible electronic structures for iron-carbene bonds are imperative to obtain better mechanistic insights and enable rational catalyst design. Here, we report the first square-planar iron-carbene complex (MesPDPPh)Fe(CPh2), where [MesPDPPh]2- is the doubly deprotonated form of [2,6-bis(5-(2,4,6-trimethylphenyl)-3-phenyl-1H-pyrrol-2-yl)pyridine]. The compound was prepared via reaction of the disubstituted diazoalkane N2CPh2 with (MesPDPPh)Fe(thf) and represents a rare example of a structurally characterized, paramagnetic iron-carbene complex. Temperature-dependent magnetic susceptibility measurements and applied-field Mössbauer spectroscopic studies revealed an orbitally near-degenerate S = 1 ground state with large unquenched orbital angular momentum resulting in high magnetic anisotropy. Spin-Hamiltonian analysis indicated that this S = 1 spin system has uniaxial magnetic properties arising from a ground MS = ±1 non-Kramers doublet that is well-separated from the MS = 0 sublevel due to very large axial zero-field splitting (D = -195 cm-1, E/D = 0.02 estimated from magnetic susceptibility data). This remarkable electronic structure gives rise to a very large, positive magnetic hyperfine field of more than +60 T for the 57Fe nucleus along the easy magnetization axis observed by Mössbauer spectroscopy. Computational analysis with complete active space self-consistent field (CASSCF) calculations provides a detailed electronic structure analysis and confirms that (MesPDPPh)Fe(CPh2) exhibits a multiconfigurational ground state. The majority contribution originates from a configuration best described as a singlet carbene coordinated to an intermediate-spin FeII center with a (dxy)2{(dxz),(dz2)}3(dyz)1(dx2-y2)0 configuration featuring near-degenerate dxz and dz2 orbitals.

Dataset Information

A novel square-planar Pt(ii) complex as a monomeric and dimeric G-quadruplex DNA binder.

Publications

A novel square-planar Pt(ii) complex as a monomeric and dimeric G-quadruplex DNA binder.

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