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具有生物活性的氧钒(IV)席夫碱金属配合物:抗菌、抗氧化、生物分子相互作用及分子对接研究

Biologically active oxovanadium(IV) Schiff base metal complex: antibacterial, antioxidant, biomolecular interaction and molecular docking studies.

作者信息

Gurusamy Shunmugasundaram, Sankarganesh Murugesan, Nandini Asha Radhakrishnan, Mathavan Alagarsamy

机构信息

Department of Chemistry, V.O. Chidambaram College, Tuticorin, Tamil Nadu, India.

Affiliated to Manonmaniam Sundaranar University, Tirunelveli, Tamilnadu, India.

出版信息

J Biomol Struct Dyn. 2023 Feb;41(2):599-610. doi: 10.1080/07391102.2021.2009916. Epub 2021 Dec 10.

Abstract

The oxovanadium(IV) Schiff base metal complex (ISNPV) have been synthesized as well as characterized by using micro analytical and traditional spectroscopic techniques. The spectral findings were utilized to validate the formation of ISNPV with structure exhibited square pyramidal geometry. The antibacterial activities of ISNPV were investigated to five different bacterial stains such as , , , and . The obtained result have suggested that the ISNPV has highest antibacterial activity against than the other bacterial stains. The antioxidant activity like DPPH free radical scavenging assay method was studied by ISNPV in DMSO medium. Because it scavenges all free radicals, the ISNPV possesses higher antioxidant activity than the free ligand. UV-visible absorption and emission spectral techniques were used to investigate the binding of CT-DNA to the ISNPV. Both the spectral data indicate that the ISNPV binds the double helix structure of CT-DNA via an intercalation mode. Additionally, investigate the interactions of ISNPV with the protein molecules like BSA/HAS has been investigated using absorption and emission techniques. The absorption intensity of metal complex increases as well as the emission intensity of protein molecules ability decreases due to the binding nature of ISNPV with BSA/HSA protein molecules. The binding nature of ISNPV with bio molecules such as CT-DNA, BSA and HSA was also validated using molecular docking approach.

摘要

已合成了氧钒(IV)席夫碱金属配合物(ISNPV),并使用微量分析和传统光谱技术对其进行了表征。利用光谱结果验证了ISNPV的形成,其结构呈现出四方锥几何形状。研究了ISNPV对五种不同细菌菌株(如 、 、 、 和 )的抗菌活性。所得结果表明,ISNPV对 的抗菌活性高于其他细菌菌株。通过在二甲基亚砜介质中使用ISNPV研究了抗氧化活性,如DPPH自由基清除测定法。由于它能清除所有自由基,ISNPV具有比游离配体更高的抗氧化活性。使用紫外可见吸收和发射光谱技术研究了CT-DNA与ISNPV的结合。两种光谱数据均表明,ISNPV通过插入模式与CT-DNA的双螺旋结构结合。此外,还使用吸收和发射技术研究了ISNPV与蛋白质分子(如BSA/HAS)的相互作用。由于ISNPV与BSA/HSA蛋白质分子的结合性质,金属配合物的吸收强度增加,蛋白质分子的发射强度降低。还使用分子对接方法验证了ISNPV与生物分子(如CT-DNA、BSA和HSA)的结合性质。

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