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

Abstract

Introduction

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 μg/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 μg/ml) and S. aureus (MIC = 6.25 μg/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.