Antimicrobial activity and molecular docking analysis of Salsola kali: investigating potent biological interactions and chemical composition

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dc.contributor.authorAytar, Erdi Can
dc.contributor.authorAydın, Betül
dc.contributor.authorTorunoğlu, Emine İncilay
dc.contributor.authorDurmaz, Alper
dc.date.accessioned2024-12-02T13:57:20Z
dc.date.available2024-12-02T13:57:20Z
dc.date.issued2024
dc.departmentAÇÜen_US
dc.description.abstractIntroduction: This study investigates the antioxidant, phenolic, and antimicrobial properties of Salsola kali and examines the molecular binding interactions of its biologically active compounds with various proteins. Methods: Ethanol extract from the aerial parts of Salsola kali was analyzed for DPPH free radical scavenging activity, iron chelating activity, total phenolic content, and total flavonoid content. Antimicrobial activity was tested against several bacterial strains, and the active components of the extract were identified through chemical analysis. Molecular docking studies assessed the binding interactions of these compounds with different protein targets. Results: The ethanol extract exhibited strong antioxidant activity, with a DPPH IC50 value of 0.12 ± 0.02 ?g/mL and an iron chelating IC50 value of 3.96 ± 0.19 mg/ml. The total phenolic content was measured at 153.61 ± 5.41 mg GAE/g extract, while the total flavonoid content was 303.25 ± 12.68 mg QE/g extract. Significant antimicrobial activity was observed against E. coli (MIC = 25 ?g/ml) and S. aureus (MIC = 6.25 ?g/ml). The analysis identified 15 biologically active compounds, with 2-methoxy-1,3-dioxolane and Nonane, 3-methyl-5-propyl as the most abundant. Molecular docking studies revealed strong binding affinities with various proteins, with binding energies ranging from -4.9 to -6.7 kcal/mol. Conclusion: The phenolic and flavonoid content of S. kali indicates significant antioxidant and antimicrobial activities. The identified compounds show promising binding interactions with proteins, suggesting potential pharmacological applications.
dc.identifier.doi10.1016/j.hermed.2024.100942
dc.identifier.issn2210-8033
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.hermed.2024.100942
dc.identifier.urihttps://hdl.handle.net/11494/5091
dc.identifier.volume48en_US
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoenen_US
dc.publisherElsevier GmbHen_US
dc.relation.ispartofJournal of Herbal Medicine
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subjectAntioxidant Activityen_US
dc.subjectGC-MS Analysisen_US
dc.subjectMolecular Dockingen_US
dc.subjectPhytochemicalsen_US
dc.subjectSalsola Kalien_US
dc.titleAntimicrobial activity and molecular docking analysis of Salsola kali: investigating potent biological interactions and chemical compositionen_US
dc.typeArticle

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