Thymus serpyllum L. Essential Oil: Phytochemistry and in Vitro and in Silico Screening of Its Antimicrobial, Antioxidant and Anti-Inflammatory Properties

Thymus serpyllum L., often known as wild thyme, has been used since ancient times due to its multifaceted culinary and medicinal attributes. It is usually utilized in folk medicine to manage different health issues. This work aimed to investigate the chemical composition and biological characteristics of T. serpyllum essential oil (EO), including its antimicrobial, antioxidant, and anti-inflammatory capabilities. Moreover, we have prompted an in-silico simulation to reveal the underlying mode of action of these properties. The chemical characterization of T. serpyllum (EO) by Gas Chromatography-Mass Spectrometry (GC-MS) indicated sabinene (17.33%), terpinen-4-ol (11.73%), phellandral (13.18%), and thymol (10.54%) as main components. The antimicrobial screening utilized the disc-diffusion technique, MIC, and MBC assays. The disc-diffusion test’s results revealed significant anti-Candida activity and notable antibacterial efficacy. The MIC and MBC tests showed that T. serpyllum EO effectively stops bacterial growth, including Gram-positive and Gram-negative strains and Candida strains. The tolerance level ratio demonstrated that this EO exhibits bactericidal and fungicidal effects on all tested bacteria and Candida strains. Also, T. serpyllum EO presented effective inhibitory activity against the 5-lipoxygenase (5-LOX) enzyme (IC₅₀ = 744.19 ± 0.1 µg/mL) (p < 0.05). It also effectively affected FRAP, β-carotene, DPPH, and ABTS radicals. In light of these findings, T. serpyllum holds promise for diverse applications across pharmaceuticals, nutraceuticals, and the food industry. However, further research and collaboration between traditional knowledge and modern medicine are crucial to fully realizing its potential benefits in these fields.