苯并咪唑配体的过渡金属配合物:合成、表征、生物和儿茶酚酶活性

IF 2.7 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Inorganica Chimica Acta Pub Date : 2024-09-29 DOI:10.1016/j.ica.2024.122392
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引用次数: 0

摘要

分别合成了杂环配体 5a 和 5b,以及它们的金属配合物 (1-10) 和 (11-20),并通过质谱、傅立叶变换红外光谱、电子能谱、1H、13C NMR 和紫外可见光谱对其进行了表征。评估了杂环类似物 5a、5b 和金属配合物(1-20)对真菌菌株的体外抗真菌活性:结果表明,Fe(III) 2 和 Co(II) 复合物 13 具有相当高的抗真菌活性,对白色念珠菌、白色念珠菌和热带念珠菌的 MIC 值分别为 350、375 和 435 μg/mL 以及 450、455 和 455 μg/mL。前景看好的 5a、5b、Fe(III) 2 和 Co(II) 复合物 13 显示出与 Ct-DNA 的沟槽结合模式,这已通过紫外-可见光、荧光光谱和循环伏安法等多种技术得到证实。杂环类似物 5a 和 5b 的分子对接研究使用了 PDB ID:1BNA。活性铁(III)络合物 2 和钴(II)络合物 13 能有效地催化乙腈中的邻苯二酚氧化成相应的醌类化合物,其周转次数分别为 5.44 × 104 和 9.78 × 104 h-1,均为一阶,遵循 Michaelis-Menten 酶动力学。所有化合物的药代动力学特性都显示出良好的口服生物利用度。配体 5a、5b、Fe(III) 2 和 Co(II) 复合物 13 的抗氧化潜力通过 DPPH 自由基和 H2O2 得到了进一步的近似值,具有显著的抗氧化活性。
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Transition metal complexes of benzimidazole-based ligands: Synthesis, characterization, biological, and catecholase activities
Heterocyclic ligands 5a and 5b and their metal complexes (110) and (1120) respectively, were synthesized and characterized by mass spectrometry, FT-IR, ESR, 1H, 13C NMR and UV–visible spectroscopy. In vitro antifungal activity of the heterocyclic analogs 5a, 5b and metal complexes (120) was evaluated against the fungal strains: Candida albicans, Candida glabrata, and Candida tropicalis., The results showed that Fe(III) 2 and Co(II) complex 13 display considerable antifungal activity with MIC values of 350, 375 and 435 μg/mL and 450, 455, and 455 μg/mL against C. albicans, C. glabrata, and C. tropicalis, respectively. Promising 5a, 5b, Fe(III) 2, and Co(II) complex 13 show groove binding mode with Ct-DNA, which has been confirmed by several techniques, including UV–visible, fluorescence spectroscopy, and cyclic voltammetry. PDB ID: 1BNA was used for the molecular docking investigation of the heterocyclic analogs 5a and 5b. The active Fe(III) complex 2 and Co(II) complex 13 are effectively catalyzed for the oxidation of catechol in acetonitrile to its corresponding quinone with turnover number 5.44 × 104 and 9.78 × 104 h−1, respectively with first order that follow Michaelis-Menten enzymatic kinetics. The pharmacokinetics properties of the all compounds showed good oral bioavailability. Antioxidant potential of ligands 5a, 5b, Fe(III) 2 and Co(II) complex 13 was further approximated through DPPH free radical and H2O2 with remarkable antioxidant activity.
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来源期刊
Inorganica Chimica Acta
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.
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