Self-association synthesis with ortho-vanillin to promote mono- and heptanuclear complexes and their evaluation as antioxidant agents

Siqueira, Josiéli Demetrio; Pellegrin, Sidnei Flores de; Fioravanço, Letícia Paiva; Fontana, Liniquer A.; Iglesias, Bernardo A.; Chaves, Otávio Augusto; Back, Davi F.

doi:10.1016/j.molstruc.2022.132480

Cited by 4 publications

(4 citation statements)

References 66 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Hydrogen atoms were added to the biomacromolecules following tautomeric states and ionization data inferred by the software. The DNA structure has two possible binding sites (major and minor groove), which were explored in the docking calculation (8.0 Å spherical cavity around each region) [56,75]. On the other hand, the HSA structure presents three main binding pockets, which were also explored by in silico calculations (8.0 Å spherical cavity around subdomains IIA, IIIA, and IB) [76], while for the superoxide dismutase mimetic activity (complexes C1'-C4' and C1-C4), a 5.0 Å spherical cavity around Co III was defined, and for RBD of SARS-CoV-2 a 10 Å spherical cavity was delimitated around the three domains.…”

Section: In Silico Calculationsmentioning

confidence: 99%

Synthesis of Cobalt(III) Complexes Derived from Pyridoxal: Structural Cleavage Evaluations and In Silico Calculations for Biological Targets

Fontana,

Martins,

Siqueira

et al. 2024

Inorganics

Self Cite

View full text Add to dashboard Cite

This study sought to investigate the synthesis of eight complexes constituted by a cobalt(III) (CoIII) metallic center coordinated to two units of iminic ligands LnC (n = 1–4, L1C–L4C), which are derivatives of pyridoxal hydrochloride and anilines with thioether function containing one to four carbons. Depending on the source of the cobalt ion and the addition (or not) of a non-coordinating counterion, complexes with distinct structures may form, being categorized into two series: [CoIII(LnC)(L0C)] (n = 1–4, C1’–C4’) with a LnC ligand and a ligand that has a thiolate function which cleaves the C-S(thioether) bond (L0C) and [CoIII(LnC)2]PF6 (n = 1–4, C1–C4) with two similar units of the same LnC ligand. The occurrence (or not) of cleavage in the eight complexes was observed by elucidating the solid-state structures by single crystal X-ray diffraction. This exciting method allows the synthesis of CoIII complexes without cleaving the C-S bonds from the ligands, thereby not requiring an inert atmosphere in the reaction systems. The synthesized complexes were evaluated by in silico calculations on viable biological targets such as deoxyribonucleic acid, superoxide dismutase enzyme, human serum albumin, and the structural spike glycoprotein of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) with the receptor binding domain (RBD) in both up and down conformations without and in complex with the cellular receptor angiotensin-converting enzyme 2 (ACE2). Overall, in silico results suggested that all the inorganic complexes under study are potential anticancer/antiviral agents; however, C4 and C4’ are the best candidates for future in vitro assays.

show abstract

Section: In Silico Calculationsmentioning

confidence: 99%

Synthesis of Cobalt(III) Complexes Derived from Pyridoxal: Structural Cleavage Evaluations and In Silico Calculations for Biological Targets

Fontana,

Martins,

Siqueira

et al. 2024

Inorganics

Self Cite

View full text Add to dashboard Cite

show abstract

“…In this work, the selectiveness of the probe HAZ through colorimetric method was performed following the well-versed method of sensing. [9][10][11][12] In this regard, the experiment has been carried out on adding equimolar concentration (0.5 Â 10 À2 mM) of different cations (Cu 2+ ,K + , Hg 2+ , Co 2+ , Na + , Cr 3+ , Ni 2+ , Cd 2+ , Zn 2+ , Fe 2+ , Mg 2+ , Pb 2+ , Ba 2+ , Ca 2+ , Al 3+ and Mn 2+ ) (Figure 5) and anions…”

Section: Spectrophotometric Studies Of Cu 2+mentioning

confidence: 99%

“…Schiff bases of N, O and/or S donors serve as excellent reagents for spectroscopic determination of Cu 2+ . [8][9][10][11][12]19] In comparison with other sensing approach, [20][21][22] colorimetric probes are widely accepted as the detection of the desired ion is possible without using any expensive instrument. There are a very few colorimetric detection probes for the detection of Cu 2+ available in the literature, and most of them suffer with various issues such as expensive and complex synthetic route, [23] weak limit of detection values [24] and less selectivity [23,[25][26][27] and solvent pH sensitivity.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Azophenyl appended Schiff base probe for colorimetric detection of Cu²⁺ in semi‐aqueous medium and live cell imaging

Dev

Pandey

Maity

et al. 2022

Applied Organom Chemis

View full text Add to dashboard Cite

A phenylazo appended ortho-vanillin Schiff base scaffold (HAZ) has been used for selective colorimetric sensing of Cu 2+ in semi-aqueous medium (methanol-water, 1:1, v/v) in the presence of 16 cations and 20 anions, and the limit of detection is 1.8 Â 10 À7 M. The structures of HAZ and Cu (II) complex, [Cu (AZ) 2 ], have been characterised by spectroscopic data (UV-Vis, Fourier transform infrared and electron paramagnetic resonance) and established by the single crystal X-ray diffraction measurement. The Job's plot from the absorption studies has also confirmed the 1:2 stoichiometry of Cu 2+ :HAZ. The absorption spectrum of [Cu (AZ) 2 ] has returned to the spectrum of HAZ on the addition of Na 2 EDTA solution which is again recovered upon the addition of Cu 2+ solution. Discrete Fourier transform computations were carried out using the coordinates of the X-ray structures of the compounds, and the molecular functions were used to correlate the solution spectroscopic properties. In addition to this, the probe is treated on MDA-MB 231 breast cancer cells to check the cytotoxicity. The probe is used for the detection of trace quantity of Cu 2+ in the cancer cell. K E Y W O R D Scell imaging assay, cytotoxicity study, colorimetric sensor of Cu 2+ ions, phenylazo appended ortho-vanillin Schiff base, X-ray structures

show abstract

Novel Zn(II)-complex with hybrid chalcone-thiosemicarbazone ligand: Synthesis, characterization, and inhibitory effect on HTLV-1-infected MT-2 leukemia cells

Campos

Barbosa

Guedes

et al. 2023

Journal of Inorganic Biochemistry

View full text Add to dashboard Cite

Self-association synthesis with ortho-vanillin to promote mono- and heptanuclear complexes and their evaluation as antioxidant agents

Cited by 4 publications

References 66 publications

Synthesis of Cobalt(III) Complexes Derived from Pyridoxal: Structural Cleavage Evaluations and In Silico Calculations for Biological Targets

Synthesis of Cobalt(III) Complexes Derived from Pyridoxal: Structural Cleavage Evaluations and In Silico Calculations for Biological Targets

Azophenyl appended Schiff base probe for colorimetric detection of Cu²⁺ in semi‐aqueous medium and live cell imaging

Novel Zn(II)-complex with hybrid chalcone-thiosemicarbazone ligand: Synthesis, characterization, and inhibitory effect on HTLV-1-infected MT-2 leukemia cells

Contact Info

Product

Resources

About

Self-association synthesis with ortho-vanillin to promote mono- and heptanuclear complexes and their evaluation as antioxidant agents

Cited by 4 publications

References 66 publications

Synthesis of Cobalt(III) Complexes Derived from Pyridoxal: Structural Cleavage Evaluations and In Silico Calculations for Biological Targets

Synthesis of Cobalt(III) Complexes Derived from Pyridoxal: Structural Cleavage Evaluations and In Silico Calculations for Biological Targets

Azophenyl appended Schiff base probe for colorimetric detection of Cu2+ in semi‐aqueous medium and live cell imaging

Novel Zn(II)-complex with hybrid chalcone-thiosemicarbazone ligand: Synthesis, characterization, and inhibitory effect on HTLV-1-infected MT-2 leukemia cells

Contact Info

Product

Resources

About

Azophenyl appended Schiff base probe for colorimetric detection of Cu²⁺ in semi‐aqueous medium and live cell imaging