Copper(II), cobalt(II), nickel(II), and iron(II) mixed complexes formed by Schiff base and 1,10-phenanthroline as secondary chelates: Preparation, characterization, antimicrobial, antioxidant, and molecular docking studies

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2025-04-06 DOI:10.1016/j.ica.2025.122692

Hatice Gamze Sogukomerogullari , Ahmet Oral Sarıoğlu , Remziye Aysun Kepekçi , Burçin Türkmenoğlu , Mehmet Hakan Morcali

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Abstract

This study details the synthesis and characterization of new metal complexes formed by combining 2-((2-mercaptophenylimino)methyl)-4-methoxy-6-nitrophenol (L₁) and 1,10-phenantroline (L₂) ligands. The ligand (L₁) and its mixed-ligand complexes with Co (II), Cu (II), Fe (II), and Ni (II) salts was analyzed using elemental analysis, FT-IR, UV–Vis, mass spectrometry, ¹H and ¹³C NMR, magnetic susceptibility, and molar conductivity studies. The development of non-electrolytic compounds in a 1:1:1 M (L₁:M:L₂) ratio was verified by elemental analysis and conductance measurements. The complexes displayed an octahedral configuration. Biological uses of newly synthesized complexes were suggested by their antibacterial and antioxidant properties. Especially, the Fe (II) complex exhibited higher antimicrobial activity than free ligand on all the tested microbial strains according to the results of agar disc difffusion assay (inhibition zones ranging from 09.50 ± 0.70 and 19.50 ± 0.70 mm) and broth microdilution test (MIC values ranging between 97.66 and 781.25 μM) The highest antioxidant activity, among ligand and its metal complexes, were recorded for Ni (II) complex with IC₅₀ value 59.17 ± 01.94 μM. The compounds with antimicrobial and antioxidant effects were further investigated via in silico approaches. The binding parameter values were calculated for the effectiveness of [FeL₁L₂H₂O].3H₂O complexes on the antimicrobial target and [NiL₁L₂H₂O].2H₂O complexes on the antioxidant target in molecular docking.

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由希夫碱和1,10-菲罗啉作为次级螯合剂形成的铜（II）、钴（II）、镍（II）和铁（II）混合配合物：制备、表征、抗菌、抗氧化和分子对接研究

本研究详细介绍了由2-（（2-巯基苯基）甲基）-4-甲氧基-6-硝基苯酚（L1）和1,10-吩啉（L2）配体组成的新型金属配合物的合成和表征。通过元素分析、FT-IR、UV-Vis、质谱、1H和13C NMR、磁化率和摩尔电导率研究，对配体（L1）及其与Co （II）、Cu （II）、Fe （II）和Ni （II）盐的混合配体配合物进行了分析。通过元素分析和电导测量验证了在1:1:1 M （L1:M:L2）比下非电解化合物的发展。配合物呈八面体构型。新合成的配合物的抗菌和抗氧化性能表明了其生物用途。琼脂盘扩散试验（抑制范围为09.50±0.70 ~ 19.50±0.70 mm）和肉液微量稀释试验（MIC值为97.66 ~ 781.25 μM）结果表明，Fe （II）配合物的抗氧化活性均高于游离配体，其中Ni （II）配合物的IC50值为59.17±01.94 μM，是配体及其金属配合物中抗氧化活性最高的。通过硅法进一步研究了具有抗菌和抗氧化作用的化合物。计算了[FeL1L2H2O]的有效性绑定参数值。[NiL1L2H2O]上的3H2O配合物。分子对接中抗氧化靶上的2H2O配合物。

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.