基于中生芳香族氨基酸希夫碱配体的新型钴(II)配合物的抗利什曼病、抗氧化活性、CT-DNA 相互作用和 DFT 研究。

IF 4.1 3区 生物学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Biometals Pub Date : 2024-08-18 DOI:10.1007/s10534-024-00627-9
Bandashisha Kharpan, Jagritima Chetia, Hunshisha Pyngrope, Rajat Nandi, Amit Kumar Pradhan, Pradip C Paul, Diwakar Kumar
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引用次数: 0

摘要

本研究以中生芳香族氨基酸为基础的希夫碱配体 HL1 [2-((2-hydroxy-4-(tetradecyloxy)benzylidene)amino)-3-phenylpropanoate] 和 HL2 [2-((2-hydroxy-4-(tetradecyloxy)benzylidene)amino)-3-(1H-indol-2-yl)propanoate] 合成了新的 Co(II) 复合物。利用不同的元素、热重和光谱研究对这些化合物进行了全面的表征。用 MTT 法评估了这些化合物对唐氏利什曼病的体外抗利什曼药效,并用 Mensor's 法进行了抗氧化活性测定。抗利什曼病菌和抗氧化研究的细胞存活率百分比和 IC50 值显示,钴(II)复合物分别与标准物质两性霉素 B 和抗坏血酸相当,这表明生物源化合物具有潜在的应用价值。使用光物理技术进行的 CT-DNA 相互作用实验研究表明,与母配体相比,钴(II)配合物表现出明显的相互作用。偏光光学显微镜(POM)和差示扫描量热仪(DSC)证明母配体具有中生性。根据紫外-可见光谱的陶氏图估算,这些化合物的光带隙属于光电材料特性范畴,密度泛函理论(DFT)研究进一步证实了这一点。此外,密度泛函理论方法还用于探索基态几何和基于密度泛函理论的两种合成配体 HL1 和 HL2 及其相应 Co(II) 复合物 Co(L1)2 和 Co(L2)2 的反应性描述符。从概念密度函数理论(CDFT)分析中获得的反应性描述符表明,Co(L1)2 最稳定,而 Co(L2)2 亲电性最强。
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Investigation of antileishmanial, antioxidant activities, CT-DNA interaction and DFT study of novel cobalt(II) complexes derived from mesogenic aromatic amino acids based Schiff base ligands.

In the present work, new Co(II) complexes were synthesized from mesogenic aromatic amino acids based Schiff base ligands, HL1 [Methyl 2-((2-hydroxy-4-(tetradecyloxy)benzylidene)amino)-3-phenylpropanoate] and HL2 [Methyl 2-((2-hydroxy-4-(tetradecyloxy)benzylidene)amino)-3-(1H-indol-2-yl)propanoate]. The compounds were thoroughly characterised using different elemental, thermogravimetric and spectroscopic studies. The in-vitro antileishmanial efficacy of the compounds against Leishmania donovani was evaluated by MTT assay and the antioxidant activity was performed by Mensor's method. The cell viability percentage and IC50 values for both the antileishmanial and antioxidant studies revealed that the cobalt(II) complexes are comparable to the standard, amphotericin B and ascorbic acid, respectively, signifying the potential applications of the biogenic compounds. The CT-DNA interaction experiments study using photophysical techniques indicated that the cobalt(II) complexes exhibited pronounced interactions as compared to the parent ligand. The parent ligands were found to possess mesogenicity as evidenced from the polarizing optical microscope (POM) and differential scanning calorimetry (DSC). The optical band gap of the compounds, as estimated from the Tauc plot of the UV-Vis spectra, lies within the domain of optoelectronic material properties, which was further supported through Density Functional Theory (DFT) study. Moreover, DFT methods have been used to explore the ground state geometry and DFT based reactivity descriptors of the two synthesised ligands, HL1 and HL2 along with their corresponding Co(II) complexes, Co(L1)2 and Co(L2)2. Reactivity descriptors obtained from Conceptual Density Functional Theory (CDFT) analysis reveal that Co(L1)2 is the most stable and Co(L2)2 is the most electrophilic.

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来源期刊
Biometals
Biometals 生物-生化与分子生物学
CiteScore
5.90
自引率
8.60%
发文量
111
审稿时长
3 months
期刊介绍: BioMetals is the only established journal to feature the important role of metal ions in chemistry, biology, biochemistry, environmental science, and medicine. BioMetals is an international, multidisciplinary journal singularly devoted to the rapid publication of the fundamental advances of both basic and applied research in this field. BioMetals offers a forum for innovative research and clinical results on the structure and function of: - metal ions - metal chelates, - siderophores, - metal-containing proteins - biominerals in all biosystems. - BioMetals rapidly publishes original articles and reviews. BioMetals is a journal for metals researchers who practice in medicine, biochemistry, pharmacology, toxicology, microbiology, cell biology, chemistry, and plant physiology who are based academic, industrial and government laboratories.
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