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Explorations on Antioxidant, Enzyme Inhibitory, and Calf Thymus DNA Interaction Studies of Dioxomolybdenum(VI) Organo
Tharani Saravanan1, Sukanya Dasgupta2, Ayesha Noor2
1Department of Chemistry, School of Advanced Sciences, Vellore, India.
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.
Insights
New dioxomolybdenum(VI) complexes show potent antioxidant and anticancer activities. These compounds effectively inhibit free radicals and alpha-amylase, offering potential therapeutic strategies for cancer and diabetes.
Area of Science:
- Inorganic Chemistry
- Medicinal Chemistry
- Computational Chemistry
Background:
- Reactive oxygen species are implicated in cancer and diabetes pathogenesis.
- Controlling free radicals is a key strategy for managing these diseases.
- Salen-type ligands and their metal complexes are explored for therapeutic potential.
Purpose of the Study:
- Synthesize and characterize novel dioxomolybdenum(VI) complexes with salen-type ligands.
- Evaluate their antioxidant, alpha-amylase inhibitory, DNA-binding, and cytotoxic properties.
- Investigate their molecular structure and binding interactions using DFT studies.
Main Methods:
- Synthesis and characterization of salen-type ligands and dioxomolybdenum(VI) complexes.
- In vitro assays for antioxidant (DPPH, H2O2), alpha-amylase inhibition, and cytotoxicity (MTT assay).
- DNA-binding studies and Density Functional Theory (DFT) calculations for structural analysis.
Main Results:
- Both complexes exhibited significant antioxidant and alpha-amylase inhibitory activities, outperforming acarbose.
- Complex 2 and its ligand demonstrated higher DNA-binding affinity with a hyperchromic effect.
- Complex 1 displayed superior cytotoxicity against MCF-7 cancer cell lines compared to cisplatin.
Conclusions:
- The synthesized dioxomolybdenum(VI) complexes possess significant therapeutic potential for cancer and diabetes.
- Their antioxidant, enzyme inhibitory, DNA-binding, and cytotoxic properties warrant further investigation.
- DFT studies provide insights into the structural basis for their observed biological activities.
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