Dimeric ZnII complex of carboxylate-appended (2-pyridyl)alkylamine ligand and exploration of experimental, theoretical, molecular docking and electronic excitation studies of ligand

Kaur, Pawanjeet; Verma, Indresh; Khanum, Ghazala; Siddiqui, Nazia; Javed, Saleem; Arora, Himanshu

doi:10.1016/j.molstruc.2022.134715

Cited by 16 publications

(3 citation statements)

References 60 publications

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“…3 The diverse and captivating applications, as well as the intricate geometric structures, of these materials are controlled by the structure of the ligands and the ions that make up the building blocks. [4][5][6] Schiff bases function as stabilizers in polymeric structures and have demonstrated utility in catalysis, organic synthesis, dyes, and as intermediates in other processes. Schiff bases have been scientifically demonstrated to have numerous biological impacts, such as activity against fungus, malaria, and bacteria.…”

Section: Introductionmentioning

confidence: 99%

“…Additionally, there has been a thorough evaluation of recent advancements in these areas 3 . The diverse and captivating applications, as well as the intricate geometric structures, of these materials are controlled by the structure of the ligands and the ions that make up the building blocks 4–6 . Schiff bases function as stabilizers in polymeric structures and have demonstrated utility in catalysis, organic synthesis, dyes, and as intermediates in other processes.…”

Section: Introductionmentioning

confidence: 99%

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Structural investigation, molecular docking, X‐ray studies, and in vitro biological activities of new transition metal complexes based isoleucine‐pyridyl hybrid Schiff base

Saleh,

Alsubaie,

Moustafa

et al. 2024

Applied Organom Chemis

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One significant class of chemotherapeutic medicines with the ability to overcome drug resistance is metal‐based medications. The creation of novel therapeutic medications with distinct modes of action is required due to the rise in drug resistance, treatment failures, and the scarcity of available treatments. The amino acid isoleucine interacts with the arylidene (synthesized from isatin and 2,6‐diamino‐pyridine) forming the HL Schiff base ligand, which then interacts with some transition metal ions to form the metal complexes. Thermal analysis, spectroscopy (1H‐NMR, IR, mass, and ultraviolet–visible), solid reflectance, magnetic moment, molar conductivity, and elemental analyses were employed for examining the synthesized HL and resultant complexes. Mass spectra besides elemental analyses studies verified the formulae of the Schiff base ligand and metal complexes. All the complexes, except for the Fe(III) complex which is non‐electrolyte, exhibited electrolytic behavior as indicated by their molar conductivity values. The obtained complexes exhibited octahedral geometrical shapes, except for the complexes of Co(II), Ni(II), and Zn(II), which displayed tetrahedral geometry. Thermal analysis showed that the complexes consistently release organic ligands and anionic components following the initial loss of water molecules of hydration. The conducted X‐ray diffraction patterns elucidated their lattice dynamics and not only confirmed the purity of the samples, but also demonstrated that the ligand and complexes of Cr(III), Fe(III), Mn(II), Cu(II), Zn(II), and Cd(II) have a crystalline structure in addition to determination of average size of the crystallites. Scanning electron microscope (SEM) was investigated for Schiff base ligand and Co(II) complex. The complexes demonstrated superior efficacy than HL towards fungal and bacteria organisms against Aspergillus fumigatus and Candida albicans, Salmonella Sp., Bacillus subtilis, Staphylococcus aureus, and Escherichia coli. The MCF‐7 cancer cell was subjected to investigation by synthesized complexes and IC50 values ranged from 12 to 23.1 μg/ml. Molecular docking studies define and anticipate the inhibitory potential and binding mode of the generated ligand with the 1GS4, 2HQ6, 3DJD, and 5JPE receptors.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Structural investigation, molecular docking, X‐ray studies, and in vitro biological activities of new transition metal complexes based isoleucine‐pyridyl hybrid Schiff base

Saleh,

Alsubaie,

Moustafa

et al. 2024

Applied Organom Chemis

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“…Their corresponding complexes are characterized by remarkable structure, and significant geometry has adapted them to be useful for various applications in medicine, and pharmaceutical fields in addition to their potential applications in catalysis, material science, and others. Moreover, the physical, and chemical properties of Schiff bases metal frameworks in addition to their geometrical structures are affected by the nature of the ligand structure, and the metal ion as building blocks 1 – 3 . Hence, it is fundamental to select suitable ligands, and metal ions to discover new metal complexes that display beneficial properties with a diverse structure.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, structural characterization, and antimicrobial evaluation of new mononuclear mixed ligand complexes based on furfural-type imine ligand, and 2,2′-bipyridine

Ismail

El–Wahab

Ali

et al. 2023

Sci Rep

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The present investigation goal was to investigate the chemistry of four new mononuclear mixed ligand Fe(III), Co(II), Cu(II), and Cd(II) complexes constructed from furfural-type imine ligand (L), and the co ligand 2,2′-bipyridine in addition to assessing their antimicrobial activity against some bacterial, and fungi strains. The structure of the complexes was interpreted by different spectroscopic techniques such as MS, IR, 1H NMR, UV–Vis, elemental analysis, TG-DTG, conductivity, and magnetic susceptibility measurements. The correlation of all results revealed that ligand (L) acts as a neutral ONNO tetradentate whereas the co ligand acts as a neutral NN bidentate. The coordination of the ligands with the metal ions in a molar ratio of 1:1:1 leads to formation of an octahedral geometry around the metal ions. The octahedral geometry has been validated and optimized by DFT analysis. Conductivity data showed the electrolytic nature of all complexes. The thermal stability of all complexes was deduced in addition to evaluating some thermodynamic, and kinetic parameters using Coats–Redfern method. Furthermore, all complexes in comparison to their parent ligands were tested for their biological potency against some pathogenic bacterial, and fungi strains using the paper disk diffusion method. [CdL(bpy)](NO3)2 complex revealed the highest antimicrobial activity.

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A Multi-Target mechanism of Withania somnifera bioactive compounds in autism spectrum disorder (ASD) Treatment: Network pharmacology, molecular docking, and molecular dynamics simulations studies

Alqahtani

2024

Arabian Journal of Chemistry

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Dimeric ZnII complex of carboxylate-appended (2-pyridyl)alkylamine ligand and exploration of experimental, theoretical, molecular docking and electronic excitation studies of ligand

Cited by 16 publications

References 60 publications

Structural investigation, molecular docking, X‐ray studies, and in vitro biological activities of new transition metal complexes based isoleucine‐pyridyl hybrid Schiff base

Structural investigation, molecular docking, X‐ray studies, and in vitro biological activities of new transition metal complexes based isoleucine‐pyridyl hybrid Schiff base

Synthesis, structural characterization, and antimicrobial evaluation of new mononuclear mixed ligand complexes based on furfural-type imine ligand, and 2,2′-bipyridine

A Multi-Target mechanism of Withania somnifera bioactive compounds in autism spectrum disorder (ASD) Treatment: Network pharmacology, molecular docking, and molecular dynamics simulations studies

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