Spectral characterization, crystal structures and biological activities of iminodiacetate ternary complexes

Shahid, M.; Anjuli,; Tasneem, Sana; Mantasha, I; Ahamad, M. Naqi; Sama, Farasha; Fatma, Kehkeshan; Siddiqi, Zafar A.

doi:10.1016/j.molstruc.2017.06.023

Cited by 9 publications

(8 citation statements)

References 28 publications

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“…The complexes [M II (acac) 2 ] (M = Cu, Pd, Pt) were synthesized by the published methods. Solvents were obtained from commercial sources and used as received.…”

Section: Methodsmentioning

confidence: 99%

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [M^II(acac)₂] Species into Three-Dimensional Networks

Rozhkov

Novikov

Ivanov

et al. 2018

Crystal Growth & Design

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The complexes [MII(acac)2] (M = Cu 1, Pd 2, Pt 3; Hacac = acetylacetone) and 1,4-diiodotetrafluorobenzene (FIB) were cocrystallized in CHCl3–MeOH solutions to form adducts (1–3)·FIB, whose structures were studied by X-ray diffraction. The association leads to unification of the three structures, thus demonstrating the potential of the isostructural Cu/Pd/Pt exchange for construction of supramolecular systems involving [MII(acac)2] complexes. In the crystal structures of (1–3)·FIB, the intermolecular bifurcated halogen bonding I···μ2-(O,O) and noncovalent interactions M···C were identified and then studied by density functional theory calculations and topological analysis of the electron density distribution within the framework of the QTAIM method at the M06/DZP-DKH level of theory. Apart from these unconventional interactions, two types of classic hydrogen bonding, viz. the C–H···I–C and C–H···F–C contacts between Me groups and halogen atoms of FIB, were detected. Collectively all these noncovalent structure-directing interactions provide conversion of one-dimensional arrays of the [MII(acac)2] species into three-dimensional networks.

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“…The complexes [M II (acac) 2 ] (M = Cu, Pd, Pt) were synthesized by the published methods. Solvents were obtained from commercial sources and used as received.…”

Section: Methodsmentioning

confidence: 99%

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [M^II(acac)₂] Species into Three-Dimensional Networks

Rozhkov

Novikov

Ivanov

et al. 2018

Crystal Growth & Design

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“…X-ray crystal structures of 1:1 complexes between Zn(II), Cu(II), and Ni(II) or Fe(III) and facially-coordinated IDA − as representative of the IMAC system were matched to the minimal metal-amino acid coordination sphere of metalloenzymes containing the cognate metal ions (Figure ). X-ray crystal structures have been solved for complexes between ACE1 and 1–3 , or omapatrilat ( 4 ) with data available for zofenopril ( 5 ) bound to Zn(II)-leucyl aminopeptidase (LAP) (Table ).…”

Section: Resultsmentioning

confidence: 99%

Immobilized Metal Affinity Chromatography as a Drug Discovery Platform for Metalloenzyme Inhibitors

2020

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Immobilized metal-ion affinity chromatography (IMAC) used to purify recombinant proteins features a resin-bound 1:1 Ni(II)–iminodiacetic acid (IDA) complex. This hemi-saturated Ni(II)–IDA system containing exchangeable sites at the metal ion is re-cast as a surrogate of a coordinatively-unsaturated metalloenzyme active site, with utility for selecting compounds with metal-binding groups from mixtures as potential metalloenzyme inhibitors. Exchanging Ni(II) for other metal ions could broaden the scope of metalloenzyme target. This work examined the performance of Cu(II)-, Fe(III)-, Ga(III)-, Ni(II)-, or Zn(II)-IMAC resins to reversibly bind experimental or clinical metalloenzyme inhibitors of Zn(II)-ACE1, Zn(II)-HDAC, Fe(II)/(III)-5-LO or Cu(II)-tyrosinase from a curated mixture (1–17). Each IMAC system gave a distinct selection profile. The Zn(II)-IMAC system selectively bound the thiol-containing Zn(II)-ACE1 inhibitors captopril and omapatrilat, and the Fe(III)-IMAC system selectively bound the Fe(II)/(III)-5-LO inhibitor licofelone, demonstrating a remarkable IMAC-metalloenzyme metal ion match. IMAC provides a simple, water-compatible platform, which could accelerate metalloenzyme inhibitor discovery.

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“…The X-BIAN ligands were synthesised according to literature procedures, [53][54][55][56][57] as was the precursor compound [Co(acac) 2 (OH 2 ) 2 ]. 58 A note on the naming of samples of [Co II (acac) 2 (Cl-BIAN)]: The compound [Co II (acac) 2 (Cl-BIAN)] crystallises in two distinct phases, denoted 2H and 2, with the key difference being that 2H exhibits a hydrogen bonding interaction between solvent and acac − oxygen atoms, while 2 does not. This distinction is important for our interpretation of the solvatochromic behaviour of 1-4.…”

Section: Synthesismentioning

confidence: 99%

“…The product (77.4 mg, 0.101 mmol) was dissolved in toluene (2.05 mL). The emerald-green solution was divided into two equal portions, which were each layered with hexane (7 mL) to afford dark red block crystals of 1 after a week, which were collected by vacuum filtration, washed with cold hexane, and air dried (58…”

Section: Synthesismentioning

confidence: 99%

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Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes

et al. 2021

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Spectral characterization, crystal structures and biological activities of iminodiacetate ternary complexes

Cited by 9 publications

References 28 publications

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [M^II(acac)₂] Species into Three-Dimensional Networks

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [M^II(acac)₂] Species into Three-Dimensional Networks

Immobilized Metal Affinity Chromatography as a Drug Discovery Platform for Metalloenzyme Inhibitors

Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes

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Spectral characterization, crystal structures and biological activities of iminodiacetate ternary complexes

Cited by 9 publications

References 28 publications

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [MII(acac)2] Species into Three-Dimensional Networks

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [MII(acac)2] Species into Three-Dimensional Networks

Immobilized Metal Affinity Chromatography as a Drug Discovery Platform for Metalloenzyme Inhibitors

Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes

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Product

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Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [M^II(acac)₂] Species into Three-Dimensional Networks

Structure-Directing Weak Interactions with 1,4-Diiodotetrafluorobenzene Convert One-Dimensional Arrays of [M^II(acac)₂] Species into Three-Dimensional Networks