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Natural Product Research
Formerly Natural Product Letters
Volume 38, 2024 - Issue 8
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Research Articles

A simple synthesis of α-Costic acid analogue with antibacterial potential, DFT and molecular docking

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Pages 1381-1391 | Received 05 Oct 2022, Accepted 03 Nov 2022, Published online: 16 Nov 2022
 

Abstract

Natural products extracted from plants has been recognized as the most efficient starting materials to synthesize new derivatives of medicinal interest. Our research focuses on the isolation and characterization of sesquiterpene derivatives from Dittrichia Viscosa (L), as well as their hemisynthesis. To that end, a phytochemical study of Dittrichia viscosa leaves was conducted in order to obtain a sesquiterpenoid, α -Costic acid, which will be further transformed to γ -Costic acid with high yield using simple processes. Optimized molecular geometry and vibrational frequencies of both products were computed using the density functional theory. In addition, the antibacterial activity of isolated and hemisynthesized products were analyzed in vitro against Escherichia coli resistant to β-lactamase 616, Pseudomonas aeruginosa, and Staphylococcus aureus. The obtained compounds were investigated by in silico biological method to evaluate their potential inhibitory activity against same strains using FtsA, LasR proteins and DNA polymerase III enzyme.

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Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This research work was fnancially supported by National Center for Scientific and Technical.

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