Molecular Docking Studies on Phenolic Constituents of Anethum graveolens L. Seed Extracts

Negru, Paul Andrei and Bota, Sanda Rodica and Stanasel, Oana Delia and Blidar, Cristian Felix and Serban, Georgeta (2021) Molecular Docking Studies on Phenolic Constituents of Anethum graveolens L. Seed Extracts. Journal of Pharmaceutical Research International, 33 (56B). pp. 119-128. ISSN 2456-9119

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Official URL: https://doi.org/10.9734/jpri/2021/v33i56B33939

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.

Item Type:	Article
Subjects:	West Bengal Archive > Medical Science
Depositing User:	Unnamed user with email support@westbengalarchive.com
Date Deposited:	25 Jan 2023 10:55
Last Modified:	14 Jun 2024 07:59
URI:	http://article.stmacademicwriting.com/id/eprint/93

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