噻二唑基席夫碱过渡金属配合物的合成、抗菌、抗癌及分子对接研究

IF 2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Avinash Rani, Jyoti Sharma, Selva Kumar Ramasamy, Reena V. Saini, Radhika Khanna, Ekta Sharma
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引用次数: 0

摘要

本文以5-溴水杨醛和5-氨基-1,3,4-噻二唑-2-硫醇为原料,利用希夫碱合成了Co(II)、Ni(II)、Cd(II)和Zr(IV)等金属配合物。使用各种分析和光谱技术对化合物进行了表征,包括元素分析、摩尔电导、磁矩测量、质谱数据、IR、1HNMR和UV-vis光谱。结果证实了配体的双齿行为,导致配合物的八面体几何形状。采用圆盘扩散法研究了合成的化合物对3种细菌和3种真菌的抑菌潜力。结果表明,Ni(II)配合物对枯草芽孢杆菌和金黄色葡萄球菌的抑菌活性最强,而Co(II)配合物对尖孢镰刀菌和白色念珠菌的抑菌活性最高。用琼脂糖凝胶电泳法考察了其dna裂解能力。对合成的化合物SH-SY-5Y对人神经母细胞瘤细胞株的抗癌活性进行了评价,其中化合物3对肿瘤细胞株的抗癌活性最强。此外,利用密度泛函理论(DFT)对配合物的结构进行了优化。此外,利用AutoDock4进行分子对接研究,探索DNA与人血清白蛋白(human serum albumin, HSA)的相互作用机制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Synthesis, Antimicrobial, Anticancer, and Molecular Docking Studies of Transition Metal Complexes of Thiadiazole-Based Schiff Base

Synthesis, Antimicrobial, Anticancer, and Molecular Docking Studies of Transition Metal Complexes of Thiadiazole-Based Schiff Base

Synthesis, Antimicrobial, Anticancer, and Molecular Docking Studies of Transition Metal Complexes of Thiadiazole-Based Schiff Base

Synthesis, Antimicrobial, Anticancer, and Molecular Docking Studies of Transition Metal Complexes of Thiadiazole-Based Schiff Base

Synthesis, Antimicrobial, Anticancer, and Molecular Docking Studies of Transition Metal Complexes of Thiadiazole-Based Schiff Base

In the present work, four new metal complexes were synthesized using different metals such as Co(II), Ni(II), Cd(II), and Zr(IV), using Schiff base derived from 5-bromosalicylaldehyde and 5-amino-1,3,4-thiadiazole-2-thiol. The compounds were characterized using various analytical and spectroscopic techniques, including elemental analysis, molar conductance, magnetic moment measurements, mass spectral data, IR, 1HNMR, and UV–vis spectra. The results confirmed the bidentate behavior of the ligand, leading to an octahedral geometry of the complexes. The antimicrobial potential of the synthesized compounds against three bacteria and three fungi was investigated by the disc-diffusion method. The observed results demonstrate that the Ni(II) complex had the strongest antibacterial activity against B. subtilis and S. aureus, while the Co(II) complex had the highest antifungal activity against F. oxysporum and C. albicans. The DNA-cleavage ability was explored using agarose gel electrophoresis. The anticancer activities of synthesized compounds were evaluated toward human neuroblastoma cell lines, i.e., SH-SY-5Y, where compound 3 exhibited the strongest anticancer activity against the cancer cell line. Additionally, density functional theory (DFT) calculations were performed to optimize the structures of the complexes. Furthermore, the molecular docking studies were conducted using AutoDock4 to explore the interaction mechanisms targeting both DNA and human serum albumin (HSA).

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来源期刊
ChemistrySelect
ChemistrySelect Chemistry-General Chemistry
CiteScore
3.30
自引率
4.80%
发文量
1809
审稿时长
1.6 months
期刊介绍: ChemistrySelect is the latest journal from ChemPubSoc Europe and Wiley-VCH. It offers researchers a quality society-owned journal in which to publish their work in all areas of chemistry. Manuscripts are evaluated by active researchers to ensure they add meaningfully to the scientific literature, and those accepted are processed quickly to ensure rapid online publication.
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