Copper(II) and Nickel(II) Complexes of Tridentate Hydrazide and Schiff Base Ligands Containing Phenyl and Naphthalyl Groups: Synthesis, Structural, Molecular Docking and Density Functional Study

Noorussabah, N.; Choudhary, Mukesh; Das, Neeladri; Mohan, Bharti; Singh, Khushwant; Singh, R. V.; Ahmad, Khursheed; Muhammad, Shabbir; Kumar, Santosh

doi:10.1007/s10904-020-01610-w

Cited by 14 publications

(11 citation statements)

References 62 publications

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“…The energy gap is 0.103 eV. It should be noted here that the energy gap for complex 9 is smaller than those of some nickel complexes, − including Ni(II) complex with TEA . Usually, molecules with smaller energy gaps possess unique optoelectronic properties and electron-transfer phenomena. , …”

Section: Resultsmentioning

confidence: 90%

“…The synthesized complexes with TRIS and BIS-TRIS ligands demonstrated higher thermal stability (202–282 °C) than complexes with TPA and TEA ligands. The energy gap for Ni(II) complex 9 turned out to be surprisingly low (0.103 eV) compared to Cu(II) complex 6 (1.258 eV) and a number of Ni(II) complexes with organic ligands, − which indicates the potential optoelectronic properties of the complex 9 . Indeed, the intensity of the band at 390 nm in the luminescence spectrum of the Ni(II) complex 9 is significantly higher than those of the Cu(II) and Co(II) complexes.…”

Section: Discussionmentioning

confidence: 99%

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Pyromellitate Ligand as Building Blocks in the Synthesis of Metal–Organic Frameworks with Hydroxyalkylamines

Kondratenko

Zav’yalova

Arsent’ev

et al. 2022

Crystal Growth & Design

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Metal−organic frameworks (MOFs) are an extremely promising and rapidly growing class of coordination compounds. Pyromellitic acid (H 4 Prm) containing four carboxyl groups is a popular ligand for building MOFs. In this study, a twostep approach was used to synthesize MOFs containing polydentate pyromellitate and hydroxyalkylamine ligands. In the first stage, Cu(II), Co(II), and Ni(II) pyromellitates were synthesized by the reaction of sodium pyromellitate with inorganic Cu(II), Co(II), and Ni(II) salts in water. X-ray diffraction showed that the interaction of cobalt nitrate with Na 4 Prm leads to the formation of MOFs based on a heteronuclear polymer complex [Co 3 (μ-ONa) 6 (Prm) 3 (H 2 O) 18 ] n . In the second stage, the interaction of the synthesized pyromellitates with tris(2hydroxypropyl)amine (TPA), tris(hydroxymethyl)aminomethane (TRIS), and bis(2-hydroxyethyl)amino-tris(hydroxymethyl)methane (BIS-TRIS) was studied. We describe the synthesis and spectroscopic and thermal properties of nine new complexes. The structure of the complexes [Co 2 (PRM)(BIS-TRIS) 2 ](H 2 O) 5 ( 6) and [Ni 2 (PRM)(BIS-TRIS) 2 ](H 2 O) 3 (9) was studied by X-ray diffraction supplemented by the Hirshfeld surface analysis and density functional theory (DFT) methods. The potential of using the complexes as adsorbents for lead ions has been demonstrated.

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Section: Resultsmentioning

confidence: 90%

Section: Discussionmentioning

confidence: 99%

Pyromellitate Ligand as Building Blocks in the Synthesis of Metal–Organic Frameworks with Hydroxyalkylamines

Kondratenko

Zav’yalova

Arsent’ev

et al. 2022

Crystal Growth & Design

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“…The use of computers to acquire chemical phenomena involving the properties and structures of drugs has recently made a crucial technique [42,43] . Studies of coordination compounds using docking and computational DFT have attracted a lot of attention and developed into a vital technique for correlating and explaining their structural properties [44–46] …”

Section: Introductionmentioning

confidence: 99%

“…[42,43] Studies of coordination compounds using docking and computational DFT have attracted a lot of attention and developed into a vital technique for correlating and explaining their structural properties. [44][45][46] Keeping this aspect into consideration, the current study was designed to test the photodegradation profile of metal complexes, target BSA to document its pharmacodynamic studies, and how efficiently they could be used as antioxidant, anti-inflammatory, analgesic, and anxiolytic drugs. Moreover, the synthesized complexes were also screened for their chemopreventive and anti-diabetic properties, as cancer and diabetes, both are subsequent complications associated with inflammation and thus match their mechanistic pathway with inflammatory pathways.…”

Section: Introductionmentioning

confidence: 99%

Comprehensive Biological, Photodegradation, Density Functional Theory, and Docking Exploration of Zn(II) and Mn(II) complexes of Piroxicam

Maha,

Tajammal,

Samra

et al. 2023

ChemistrySelect

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The biological evaluation of coordination complexes is an active research area ascribed to structural modification and synergistic action due to metal ions. The mononuclear complexes of Zn(II) and Mn(II) piroxicam were evaluated for their encyclopedic biological activities, DFT, and docking exploration. Different antioxidant methods were used to assess their antioxidant potential. DNA cleavage and protein binding properties of the complexes were monitored through gel electrophoresis and UV‐visible spectrophotometry. The low IC50 value of both complexes implies more potency than the piroxicam. The percent cleavage and binding constant values indicated that the complexes bind with DNA and BSA more efficiently than the piroxicam. In SD rats, complexes were screened for analgesic, anti‐anxiety, anti‐inflammatory, and anti‐hyperglycemic effects. The complexes demonstrated statistically significant results for in‐vivo analysis. Photodegradation results of the metal complexes under UV lamp exhibited abrupt degradation than the piroxicam. Docking results also validate a better propensity of both complexes to bind with DNA and BSA. Hydrogen bonding and Van der Waals forces play a key role in stabilizing complexes in DNA and BSA binding pockets. These metal complexes have evident therapeutic potential more than piroxicam and could be promising drugs for relieving pain, anxiety, inflammation, and associated comorbidities with good pharmacodynamic properties.

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“…This method has more selectivity and easier product separation and purification than conventional method. The Schiff bases are condensation product of primary Amine with Aldehyde or Ketone [12][13][14] . The Schiff bases have been known since 1864, when Hugo Schiff reported the condensation of primary amine with carbonyl compound 15 .…”

Section: Introductionmentioning

confidence: 99%

Eco-friendly Synthesis, Characterization and Antibacterial Activity Study of Novel Ligand Derived from 2-Amino Benzothiazole and 6-Bromo-2-Phenyl-(4H)-4-Benzopyranone and its Transition Metal Complexes.

Sonune¹,

Moharir²,

Undegaonkar³

et al. 2022

Orient. J. Chem

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The novel Ligand was prepared by irradiation of 2-amino-1-methyl benzimidazole and 3’,5’-dimethoxy-4'-hyroxy acetophenone, in scientific microwave oven and its transition metal complexes were prepared from Ni(II), Mn(II), Cd(II), Fe(III), Cu(II), Zn(II), Co(II), Ag(I) salts. The synthesized Schiff base ligand and its complexes were characterized by elemental analysis, spectral technics such as UV-Visible, FT-IR, 1HNMR, LC-MS and Thermo gravimetric analysis. The biological activity of novel ligand and its complexes were tested against Staphylococcus aureus, Salmonella typhi and Aspergillus Niger.

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Copper(II) and Nickel(II) Complexes of Tridentate Hydrazide and Schiff Base Ligands Containing Phenyl and Naphthalyl Groups: Synthesis, Structural, Molecular Docking and Density Functional Study

Cited by 14 publications

References 62 publications

Pyromellitate Ligand as Building Blocks in the Synthesis of Metal–Organic Frameworks with Hydroxyalkylamines

Pyromellitate Ligand as Building Blocks in the Synthesis of Metal–Organic Frameworks with Hydroxyalkylamines

Comprehensive Biological, Photodegradation, Density Functional Theory, and Docking Exploration of Zn(II) and Mn(II) complexes of Piroxicam

Eco-friendly Synthesis, Characterization and Antibacterial Activity Study of Novel Ligand Derived from 2-Amino Benzothiazole and 6-Bromo-2-Phenyl-(4H)-4-Benzopyranone and its Transition Metal Complexes.

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