Scrutinizing the DNA interactions and antimicrobial potential of mixed ligand metal complexes incorporating salicylaldehyde-isoniazid Schiff base ligand and quercetin

IF 2.7 3区 化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR
Lakshmanan Ramgeetha , Selvaraj Freeda Selva Sheela , Michael Samuel , Natarajan Raman , Karuppiah Arunsunai Kumar
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Abstract

In this work, four mixed ligand transition metal complexes were synthesized to achieve the maximum level of biological efficiency. These complexes were designed by employing a Schiff base incorporating salicylaldehyde and isoniazid (primary ligand), along with quercetin as the co-ligand. Notably, the quercetin meaning a phenolic compound with a greater number of hydroxyl groups, is being used to assess its impact on biological activity. Elemental analysis and various spectroscopic techniques confirm the formation of the complexes. Physico-chemical analyses indicate that all the synthesized metal(II) complexes exhibit an octahedral geometry. The antimicrobial properties of both the ligand and metal(II) complexes were assessed against different bacterial and fungal strains. Additionally, the SWISS ADME online tool was employed to assess their drug-like properties and pharmacokinetic profiles. Further investigations into the DNA binding activity of these metal complexes were conducted using UV absorption studies and viscosity titrations, which supported an intercalative binding mechanism. Notably, molecular docking studies were performed to evaluate interactions with the 1BNA. The outcome of this work suggests that the synthesized complexes exhibit higher biological efficiency when related to the isoniazid incorporated Schiff base ligand due to chelation effect.
结合水杨醛-异烟肼希夫碱配体和槲皮素的混合配体金属配合物的DNA相互作用和抗菌潜力的研究
在本工作中,合成了四种混合配体过渡金属配合物,以达到最大的生物效率。这些配合物是用含有水杨醛和异烟肼(初级配体)的希夫碱,以及槲皮素作为共配体设计的。值得注意的是,槲皮素是一种具有更多羟基的酚类化合物,正被用来评估其对生物活性的影响。元素分析和各种光谱技术证实了配合物的形成。理化分析表明,所有合成的金属(II)配合物均呈八面体结构。该配体和金属(II)配合物对不同细菌和真菌菌株的抗菌性能进行了评估。此外,采用SWISS ADME在线工具评估其药物样特性和药代动力学特征。进一步研究了这些金属配合物的DNA结合活性,使用紫外吸收研究和粘度滴定,支持插层结合机制。值得注意的是,进行了分子对接研究以评估与1BNA的相互作用。本研究结果表明,由于螯合作用,所合成的配合物与异烟肼结合的希夫碱配体具有更高的生物效率。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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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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