ArticleResearch in pharmaceutical sciences2020
Synthesis and evaluation of antioxidant activity of some novel hydroxypyridinone derivatives: a DFT approach for explanation of their radical scavenging activity.
Article in Research in pharmaceutical sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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10 citing papers in PubMed, 29 citations in OpenAlex.
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- Investigating the Antioxidant Efficiency of Tea Flavonoid Derivatives: A Density Functional Theory Study.International journal of molecular sciences · 2025Article
- Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids-An Overview.Molecules (Basel, Switzerland) · 2024Review
- Investigating the Potency of Erythrina‒Derived Flavonoids as Cholinesterase Inhibitors and Free Radical Scavengers Through in silico Approach: Implications for Alzheimer's Disease Therapy.Advances and applications in bioinformatics and chemistry : AABC · 2024Article
- New 3-Hydroxypyridine-4-one Analogues: Their Synthesis, Antimicrobial Evaluation, Molecular Docking, andMedicinal chemistry (Shariqah (United Arab Emirates)) · 2024Article
- Insights on the conformation and appropriate drug-target sites on retinal IMPDH1 using the 604-aa isoform lacking the C-terminal extension.Research in pharmaceutical sciences · 2023Article
- Spectroscopic, Thermal, Microbiological, and Antioxidant Study of Alkali Metal 2-Hydroxyphenylacetates.Materials (Basel, Switzerland) · 2021Article
- Density functional theory studies of the antioxidants-a review.Journal of molecular modeling · 2021Review
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Authors and funding
5 authors at 1 institution in 1 country.
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No grant is acknowledged in the PubMed record.
Abstract
background and purposeReactive oxygen species (ROSs) are continuously produced as byproducts of cell metabolism. Free radicals are an unstable form of ROSs with the tendency to react readily with biomolecules such as amino acids, lipids and DNA. These reactions lead to oxidative damages to the cell. Oxidative stress occurs when the concentration of the ROSs exceeds the capacity of antioxidative protection systems of the body. 5-Hydroxypyridin-4-one derivatives can chelate Fe EXPERIMENTAL APPROACH: Different compounds were synthesized with 5-hydroxypyridine-4-one moiety as the core. The antioxidant properties of molecules were evaluated experimentally by DPPH scavenging method and theoretically using DFT/B3LYP with a 6-31++G (d,p) basis set. Electronic properties were investigated using frontier molecular orbital theory calculations. Furthermore, global descriptive parameters were obtained to find the chemical reactivity of molecules. The natural bond orbital analysis was performed to investigate charge distribution and hydrogen bonding. FINDINGS/
resultsStructures of the synthesized compounds were confirmed using IR, CONCLUSION AND IMPLICATIONS: Results of this study were valuable in terms of synthesis,
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