Homodinuclear [Fe(III)−Fe(III)] and [Zn(II)−Zn(II)] complexes of a binucleating [N4O3] symmetrical ligand with purple acid phosphatase (PAP) and zinc phosphoesterase like activity

Pathak, Chandni; Gangwar, Manoj Kumar; Ghosh, Prasenjit

doi:10.1016/j.poly.2018.01.029

Cited by 17 publications

(9 citation statements)

References 72 publications

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“…The bond length of C=O (C4-O5) in all metal complexes varied from (1.357-1.359 Å) is longer than that in the free ligand (1.255Å). This variation confirms the coordination via amide C=O group and C=N for thiazoyl ring [36]. The total energy, heat of formation and dipole moment of all complexes are reported in supplementary material.…”

Section: Geometrical Structure Of Complexessupporting

confidence: 75%

Spectroscopic characterization, thermogravimetric, DFT and biological studies of some transition metals complexes with mixed ligands of meloxicam and 1,10 phenanthroline

et al. 2021

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A series of biologically active complexes were prepared using meloxicam (H2mel) and 1,10-phenanthroline monohydrate (Phen) as ligands. The compositions of all complexes were elucidated by infrared, electronic absorption and 1 H NMR spectroscopy, elemental analyses, magnetic moments, conductance and TG-DTG measurements. The analytical and spectroscopic data revealed that H2mel acts as a mono basic bidentate ligand binding through the oxygen of the amide and nitrogen of the thyizol groups, whereas Phen is coordinated through the two nitrogen atoms with slightly distorted octahedral geometry. The geometries of ligands and complexes were studied using density functional theory to predict properties of materials carried out using the hybrid density functional B3LYP level of theory. All studied complexes can be characterized as chemically soft with respect to the H2mel where η varied from 0.053 eV for Fe(III) complex to 0.089 eV for Zn(II) complex and σ varied from 11.236 to 18.868 eV, while η and σ for H2mel are 0.14 and 7.14 eV, respectively. The antibacterial activities of the ligands and metal complexes have been tested and the data showed that the complexes are significantly active against some bacterial species compared with H2mel.

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Section: Geometrical Structure Of Complexessupporting

confidence: 75%

Spectroscopic characterization, thermogravimetric, DFT and biological studies of some transition metals complexes with mixed ligands of meloxicam and 1,10 phenanthroline

et al. 2021

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“…The equatorial plane is occupied by four atoms, two nitrogen atoms of Bipy (N6 and N9), one oxygen atom of water molecule (O10) and one oxygen atom of H 2 mel (O5), and the axial plane is occupied by two atoms, nitrogen atom of H 2 mel (N1) and oxygen atom of second water molecule (O11). The bond lengths and bond angles for complex B are presented in Table S5 . The bond length of CO is 1.359 Å which is longer than that in the free ligand (1.255 Å).…”

Section: Resultsmentioning

confidence: 99%

“…The bond lengths and bond angles for complex B are presented in Table S5. [59][60][61] The bond length of C¼O is 1.359 Å which is longer than that in the free ligand (1.255 Å). The total energy of the complex is −368.518 au, heat of formation is −11213.16 kcal mol −1 and the dipole moment is 10.17 D.…”

Section: Structure Of Complex Bmentioning

confidence: 99%

Spectroscopic characterization, thermogravimetry, density functional theory and biological studies of some mixed‐ligand complexes of meloxicam and 2,2′‐bipyridine with some transition metals

Sadeek

El‐Hamid

Mohamed

et al. 2019

Applied Organom Chemis

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The mixed‐ligand Mn(II), Fe(III), Ni(II), Cu(II), Zn(II) and Zr(IV) complexes of meloxicam (H2mel) and 2,2′‐bipyridine (Bipy) were prepared and characterized. For all complexes, the analytical and spectroscopic results revealed that H2mel acts in a monobasic bidentate manner through the oxygen of the amide and nitrogen of the thiazole groups, whereas Bipy coordinates through the two nitrogen atoms with slightly distorted octahedral geometry. Thermodynamic parameters (E, ΔS*, ΔH* and ΔG*) were calculated using Coats–Redfern and Horowitz–Metzger methods. The geometries of H2mel and the complexes were carefully studied using density functional theory to predict the properties of materials performed using the hybrid density functional method B3LYP. All studied complexes are soft with respect to H2mel where η varies from 0.096 for Zn(II) complex to 0.067 for Fe(III) complex and σ varies from 10.42 to 14.93 eV, while η and σ for H2mel are 0.14 and 7.14 eV, respectively. The antibacterial activities of the ligands and metal complexes were investigated and the data show that the complexes are active against some bacterial species compared with H2mel.

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“…Comparing these k cat values of 1 – 3 with the values reported for some dimetallic iron(III), , iron(III)–zinc(II), and zinc(II) , model complexes, one can say that the analogous catalytic rates and efficiency are observed for the present complexes. On the other hand, there are several literature reports on similar iron(III) and zinc(II)-based model complexes − ,− that catalyze the phosphoester hydrolysis reactions at substantially high rates with better catalytic efficiency compared to the present complexes described in this study. In this line, the values of various kinetic parameters for some reported iron(III) and zinc(II)-based model complexes have been summarized in Table .…”

Section: Resultsmentioning

confidence: 71%

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

et al. 2018

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Three new tetranuclear iron(III) and zinc(II) complexes, [Fe(cpdp)(phth)(OH)]·8HO (1), [Fe(cpdp)(terephth)(OH)] (2), and [Zn(Hcpdp)(suc)]Br·12HO (3), have been synthesized as models for the active site of phosphoester hydrolases by utilizing a polydentate ligand, N, N'-bis[2-carboxybenzomethyl]- N, N'-bis[2-pyridylmethyl]-1,3-diaminopropan-2-ol (Hcpdp) in combination with exogeneous phthalate (phth), terephthalate (terephth), and succinate (suc). Single crystal X-ray analyses reveal that the metallic core of complex 1 consists of four distorted octahedral iron(III) ions with average intraligand Fe---Fe separation of 3.656(2) Å, while the structure 3 represents a tetranuclear metallic core containing four distorted trigonal bipyramidal zinc(II) ions with average intraligand Zn---Zn separation of 3.472(2) Å. The molecular structure of complex 2 has been optimized by the DFT method which shows that its core arrangement is similar to that of 1. Complex 1 has a very interesting centrosymmetric structure that includes two crystallographically equivalent [Fe(cpdp)] dinuclear units, connected together by a pair of syn-syn bridging phthalates and a pair of bridging hydroxides to generate a "dimer of dimers" structural motif. In complex 3, a succinate group connects two crystallographically equivalent [Zn(Hcpdp)] dinuclear units in a syn-syn bidentate manner forming a "dimer of dimers" structural design. All three complexes show phosphatase-like activity that has been examined in methanol-water (1:1; v/v) using bis( p-nitrophenyl) phosphate (BNPP) as model substrate by applying the UV-vis spectrophotometric technique. In each case, the kinetic data have been analyzed by the Michaelis-Menten approach. The order of catalytic efficiency for the conversion of substrate to product follows the trend 1 > 2 > 3 with turnover rates ( k) of (2.73 ± 0.13) × 10 for 1, (1.06 ± 0.07) × 10 for 2, and (2.33 ± 0.18) × 10 s for 3. These k values are comparable to, albeit slightly lower than, the values reported for similar iron(III)- and zinc(II)-based model complexes in the literature. DFT calculations have been carried out to support the proposed mechanism for phosphatase-like activity.

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Homodinuclear [Fe(III)−Fe(III)] and [Zn(II)−Zn(II)] complexes of a binucleating [N4O3] symmetrical ligand with purple acid phosphatase (PAP) and zinc phosphoesterase like activity

Cited by 17 publications

References 72 publications

Spectroscopic characterization, thermogravimetric, DFT and biological studies of some transition metals complexes with mixed ligands of meloxicam and 1,10 phenanthroline

Spectroscopic characterization, thermogravimetric, DFT and biological studies of some transition metals complexes with mixed ligands of meloxicam and 1,10 phenanthroline

Spectroscopic characterization, thermogravimetry, density functional theory and biological studies of some mixed‐ligand complexes of meloxicam and 2,2′‐bipyridine with some transition metals

Phosphatase-like Activity of Tetranuclear Iron(III) and Zinc(II) Complexes

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