Recent advancements in the anticancer potentials of first row transition metal complexes

Agarwal, Pulkit; Asija, Sonika; Deswal, Yogesh; Kumar, Naresh

doi:10.1016/j.jics.2022.100556

Cited by 17 publications

(6 citation statements)

References 63 publications

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“…[10] α-Glucosidase stationed in the brush borders of small intestine, where it catalyzes the hydrolysis of aryl or alkyl-glucosides, disaccharides or oligosaccharides to smaller sugar particles such as glucose. [11][12][13] Therefore, designing and developing more effective α-amylase and α-glucosidase inhibitors for the treatment of diabetes with lesser side effects is a highly challenging task for the global healthcare system.…”

Section: Introductionmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

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In search of novel medications that could be effective in preventing and treating diabetes, four new [Co(L)(H 2 O) 3 ] (2), [Ni(L)(H 2 O) 3 ] (3), [Cu(L)(H 2 O)] (4) and [Zn(L)(H 2 O)] (5) complexes were synthesized from 4-Chloro-2-(((3-mercapto-5-[pyridin-4-yl]-4H-1,2,4-triazol-4-yl)imino)methyl)phenol ligand (H 2 L),which is obtained by the condensation of 5-chlorosalicylaldehyde with 4-amino-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol in 1:1 ratio. The Fouriertransform infrared spectroscopy (FTIR), nuclear magnetic resonance (NMR)( 1 H and 13 C), elemental analyses, UV-visible, electron spin resonance (ESR), thermogravimetric analysis (TGA), scanning electron microscopy, energy dispersive X-ray analysis (EDAX), and X-ray diffraction (XRD) studies were used to successfully characterize the compounds. The ligand act in a tridentate manner and coordinates to the metal ions through N azomethine , O phenolic and S thiol functionalities. On the premise of their spectral and physico-analytical data; octahedral geometry for complex 2 and 3, while square planar and tetrahedral geometry for complex 4 and 5 was proposed. Theoretical calculations of the synthesized compounds have been performed by using density functional theory (DFT)/B3LYP method and parameters such as HOMO-LUMO energy values and MESP were calculated. In vitro examinations against α-amylase and α-glucosidase reveal promising results for the compounds. Nickel (II) complex(3) against α-amylase and zinc (II) complex (5) against α-glucosidase were found to be good inhibitors. Molecular docking experiments against the receptors 1BSI and 5ZCC were done to support the observation and considerable

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Section: Introductionmentioning

confidence: 99%

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Deswal

Asija

Tufail³

et al. 2023

Applied Organom Chemis

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“…The “inside” coordination site has two oxygen and two nitrogen atoms, while the “outside” coordination site has four oxygen atoms. When coordinated with two transition metal ions, it would produce binuclear complexes with the phenolic oxygens acting as a bridge 20 …”

Section: Resultsmentioning

confidence: 99%

“…The kinetic data of each thermal cracking step of the above complexes is performed using the Coats–Redfern and Horowitez–Metzegar methods 19,20 as described in chapter three.…”

Section: Resultsmentioning

confidence: 99%

Studies on the synthesis, spectroscopy, thermal properties, docking, and biology of new Schiff base and its mono‐ and binuclear complexes

Abou‐Melha

2023

J of Molecular Recognition

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A novel Schiff base has been synthesized from the condensation of the 3‐formyl‐2‐hydroxybenzoic acid and 4‐nitrobenzene‐1,2‐diamine. The new ligand was found to have two coordination sites. So, it has the capability to form mono‐ and binuclear complexes with different metal ions. The free ligand and its mono‐ and binuclear cobalt(II) complexes have been characterized by UV–Visible spectra, IR, elemental analyzes, H1 NMR, conductimetric, thermal, and magnetic measurements. Results indicated that the cobalt(II) ion is attached to the inside coordination site and the second metal ion attached to the outside coordination site. The complexes are all non‐electrolytes, as demonstrated by the molar conductance tests. The thermodynamic parameters of the metal complexes are calculated using Horowitz Metzger and Coats‐Redfern methods. The complexes' bonding properties have also been estimated. Molecular docking was employed to forecast the interaction of the prepared with the Candida‐albicans receptor (1zap). The biological activities of these metal complexes were tested against some bacteria and fungi. It is evident from the biological screening data that the prepared Co(II) binuclear complexes exhibit predominant activity against Candida albicans, Penicillium oxalicum and Escherichia coli, while they have no activity against Micrococcus roseus and Micrococcus luteus.

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“…Polydentate ligands find extensive application in the field of organometallic chemistry due to their remarkable capacity to establish multiple bonds with diverse metal ions [1–3] . Accordingly, systems integrating polydentate ligands assume a crucial role in the progression of coordination studies.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, XRD/HSA‐Interactions, QTAIM Analysis, Optical and Nonlinear Optical Responses Studies of Cu(II) Complex with the Schiff Base Ligand Derived from 5‐Bromosalicylaldehyde

Lamiri,

Djaafer‐Moussa,

Merabet

et al. 2023

ChemistrySelect

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In this study, we efficiently synthesized a new Schiff base ligand (H2L) along with its mononuclear complex Cu(II) (1). The chemical structures of these compounds were rigorously determined using various analytical techniques, including UV‐ Vis., FT‐IR, 1H NMR, 13 C NMR CHN elemental analysis, single crystal X‐ray diffraction, and quantum calculations. The X‐ray diffraction analysis of the complex revealed the presence of intermolecular interactions characterized by C−H…Br hydrogen bonds, leading to the formation of 2D layers. We conducted a systematic investigation of these intermolecular interactions using HS and QTAIM analysis. Additionally, we affected a comprehensive analysis of H2L, 1, and 2, focusing on their structural, electronic, and optical properties using DFT and TD‐DFT calculations in gas and solvent. The computed parameters closely matched the experimental data, demonstrating good agreement. Reactivity parameters indicated that complex 2 exhibited lower hardness (~1.7 eV) compared to 1 (~1.8 eV) and H2L (~4.4 eV). NLO analysis revealed substantial α and β values for compound 2 in both static and dynamic regimes. Notably, the β values of the title complexes increased with higher solvent polarity. In summary, our investigation highlights the potential of the title complexes as promising candidates for second‐order nonlinear optical materials.

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Recent advancements in the anticancer potentials of first row transition metal complexes

Cited by 17 publications

References 63 publications

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Instigating the in vitro antidiabetic activity of new tridentate Schiff base ligand appended M(II) complexes: From synthesis, structural characterization, quantum computational calculations to molecular docking, and molecular dynamics simulation studies

Studies on the synthesis, spectroscopy, thermal properties, docking, and biology of new Schiff base and its mono‐ and binuclear complexes

Synthesis, XRD/HSA‐Interactions, QTAIM Analysis, Optical and Nonlinear Optical Responses Studies of Cu(II) Complex with the Schiff Base Ligand Derived from 5‐Bromosalicylaldehyde

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