Copper (II) complexes derived from pyridoxal: Structural correlations, cytotoxic activities, and molecular docking

Siqueira, Josiéli Demetrio; Pellegrin, Sidnei Flores de; Fontana, Liniquer A.; Iglesias, Bernardo A.; Sagrillo, Michele Rorato; Oliveira, Pâmella Schramm; Rossato, Aline; Silveira, Larissa da Silva; Neves, Ademir; Chaves, Otávio Augusto; Back, Davi F.

doi:10.1016/j.ica.2021.120530

Cited by 8 publications

(1 citation statement)

References 105 publications

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“….− and the inorganic core of C1-C4/C1'-C4', showing a distance in the 1.70-2.50 Å range that is inside the previously reported theoretical distance correlated with in silico and biological data for SOD-mimetic compounds [27,59]. Overall, beyond the good interactive profile of DNA: C1-C4/C1'-C4', an inorganic core based on Co III might interact with superoxide ions, also acting as a SOD mimetic.…”

Section: In Silico Calculations On Feasible Biological Targets For Co...supporting

confidence: 84%

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

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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.

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Section: In Silico Calculations On Feasible Biological Targets For Co...supporting

confidence: 84%

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

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Syntheses, structure, DNA docking and antimicrobial studies of copper(II) complexes with diethylenetriamine and N-bidentate ligands

Sureshbabu

Varghese

Sujitha

et al. 2022

Inorganica Chimica Acta

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Synthesis of derived Cu(II) complex from Schiff base of Vitamin B6 and antihypertensive hydralazine: DNA interaction, biological application and molecular docking studies

Ragab,

Abdel Hameed,

Shoukry

et al. 2025

Inorganic Chemistry Communications

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Copper (II) complexes derived from pyridoxal: Structural correlations, cytotoxic activities, and molecular docking

Cited by 8 publications

References 105 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

Syntheses, structure, DNA docking and antimicrobial studies of copper(II) complexes with diethylenetriamine and N-bidentate ligands

Synthesis of derived Cu(II) complex from Schiff base of Vitamin B6 and antihypertensive hydralazine: DNA interaction, biological application and molecular docking studies

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