Antimicrobial activity and chemical composition of Syringa vulgaris L. essential oil and molecular docking simulation of its selected major chemical component

In vitro and in silico antimicrobial activity of Syringa vulgaris essential oil

Abstract

 Syringa vulgaris L. is a well-known ornamental plant used in traditional medicine, but its therapeutic properties and bioactive components have not been sufficiently investigated. Furthermore, there is a lack of detailed research on how the components of Syringa vulgaris essential oil (SVEO) interact at the molecular level with target proteins. This study aimed to evaluate the chemical composition and antimicrobial activity of SVEO in vitro and in silico. GC-MS identified 32 compounds. The most abundant compounds were identified as diethyl phthalate (54.296%), alpha-terpineol (24.141%), and gamma-terpineol (11.389%). SVEO was inactive against nearly all tested bacterial strains in the in vitro antibacterial assay but demonstrated varying levels of antifungal activity against yeasts (especially Candida albicans) and Aspergillus spp. Finally, the binding affinities of the three main components revealed significant potential to inhibit five target receptor proteins crucial to Candida albicans, as assessed using the AutoDock-Vina program, which helped determine the antifungal mechanism. SwissADME results for drug-like properties and toxicity prediction showed that these components met the rule of five and exhibited acceptable drug-like properties. Therefore, this study suggests that SVEO is a promising candidate, particularly for treating Candida albicans infections and addressing the growing issue of antifungal resistance.