Explorations on Antioxidant, Enzyme Inhibitory, and Calf Thymus DNA Interaction Studies of Dioxomolybdenum(VI) Organo Complexes

IF 2.5 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Chemistry & Biodiversity Pub Date : 2025-03-26 DOI:10.1002/cbdv.202500051
Tharani Saravanan, Sukanya Dasgupta, Ayesha Noor, Angappan Sheela
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Abstract

Since time immemorial, it has been well established that reactive oxygen species play a key role in the pathogenesis of various cancer types and metabolic diseases like diabetes. Hence, the control of free radical generation is considered one of the viable strategies to combat the onset of diabetes and cancer progression. In this context, we have synthesized and characterized two salen-type ligands and their corresponding dioxomolybdenum(VI) complexes. The complexes are evaluated for antioxidant efficacy, α-amylase inhibitory potential, DNA-binding ability, and cytotoxicity studies. The optimized geometry of the complexes based on electron density distributions of the frontier molecular orbitals is ascertained using DFT studies. The DPPH and H2O2 assays show comparable antioxidant efficacies for both the complexes, comparable to that of the standard. Similarly, the complexes show comparable α-amylase inhibitory activities, showcasing higher activity than acarbose. Furthermore, the DNA interaction study reveals a higher binding affinity for ligand 2 and complex 2 as observed by their binding constant values. The ligands and the complexes have shown a hyperchromic effect, indicating preferential binding to the grooves of the double helix of DNA. The MTT assay against MCF-7 cancer cell lines reveals that complex 1 shows an excellent cytotoxic effect, higher than cisplatin.

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二氧钼(VI)有机配合物的抗氧化、酶抑制及小牛胸腺DNA相互作用研究。
自古以来,活性氧在各种癌症类型和糖尿病等代谢性疾病的发病机制中起着关键作用,这一点已经得到了很好的证实。因此,控制自由基的产生被认为是对抗糖尿病和癌症进展的可行策略之一。在此背景下,我们合成并表征了两种salen型配体及其相应的二氧钼(VI)配合物。这些复合物的抗氧化效果、α-淀粉酶抑制潜力、DNA结合能力和细胞毒性研究都得到了评价。基于前沿分子轨道的电子密度分布,利用离散傅里叶变换确定了配合物的优化几何形状。DPPH和H2O2分析显示,这两种配合物的抗氧化效果相当,与标准物相当。同样,该复合物具有相当的α-淀粉酶抑制活性,比阿卡波糖具有更高的抑制活性。此外,DNA相互作用研究表明配体2和复合物2的结合常数值具有较高的结合亲和力。配体和配合物表现出超色效应,表明优先结合DNA双螺旋的凹槽。对MCF-7癌细胞的MTT实验显示复合物1具有较好的细胞毒作用,高于顺铂。
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来源期刊
Chemistry & Biodiversity
Chemistry & Biodiversity 环境科学-化学综合
CiteScore
3.40
自引率
10.30%
发文量
475
审稿时长
2.6 months
期刊介绍: Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.
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