Abstract
Background: There are studies indicating that aqueous or hydroalcoholic dill extracts showed higher antioxidant activity compared to other fractions. Molecular docking studies would be relevant to get information on the mechanism of action of the phenolic constituents of Anethum graveolens seed extracts as bioactive compounds.
 Methodology: In order to perform the docking studies of antioxidant activity of phenolic constituents of Anethum graveolens seed extracts, BIOVIA Discovery Studio and AutoDock Vina software were used.
 Results: The orientation of flavonoids within Hck and CYP2C9 binding sites has been shown to be the main reason for their inhibitory potency.
 Conclusion: Molecular docking studies indicate that the compounds identified interact with the target enzymes Hck and CYP2C9 at molecular level through their condensed ring systems and hydroxyl substituents and therefore support the antioxidant capacity of the studied phenolic compounds.
Highlights
Clinical studies have shown that very common chronic age-related diseases have increased oxidative stress
In a previous paper [19], we reported the total phenolics contents and several phenolic compounds identified in methanolic and hydromethanolic extracts from dill seeds cultivated in Romania
Two proteins were selected as targets for antioxidant compounds, tyrosine kinase Hck [25] and cytochrome P450, CYP2C9 [26,27]
Summary
Clinical studies have shown that very common chronic age-related diseases have increased oxidative stress. The ability of phytochemicals to lower the level of free radicals is associated with their benefits in the prevention of chronic diseases caused by oxidative stress and it may be associated with their antioxidant activity [1,2]. Natural polyphenols, such as phenolic acids, flavonoids and coumarins, are the most important group of secondary metabolites found in many medicinal plants as well as in the human diet and contribute to the antioxidant properties of plants and foods [1,3]. Results: The orientation of flavonoids within Hck and CYP2C9 binding sites has been shown to be the main reason for their inhibitory potency.
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