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BMC Complementary Medicine and Therapies
Published in: BMC Complementary Medicine and Therapies 1/2023

Open Access 01-12-2023 | Streptococci | Research

Six Spain Thymus essential oils composition analysis and their in vitro and in silico study against Streptococcus mutans

Authors: Su-Yeon Park, Rifat Nowshin Raka, Xiu-Li Hui, Yang Song, Jin-Long Sun, Jie Xiang, Juan Wang, Jian-Ming Jin, Xu-Kai Li, Jun-Song Xiao, Hua Wu

Published in: BMC Complementary Medicine and Therapies | Issue 1/2023

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Abstract

Background

Streptococcus mutans is a well-known oral pathogen that plays a critical role in the development of dental caries. Many studies have been directed to discover the chemical compounds present in natural products to inhibit the growth and biofilm formation activity of S. mutans. Thymus essential oils exhibit good inhibition on the growth and pathogenesis of S. mutans. However, details about the active compounds in Thymus essential oil and the inhibition mechanism still remain unclear. The aim of this study was to investigate the antimicrobial activity of 6 Thymus species (Three samples of Thymus vulgaris, two samples of Thymus zygis, and one sample of Thymus satureioides essential oils) on S. mutans, to identify the potential active components, and to reveal the underlying mechanism.

Methods

The composition of Thymus essential oils was analyzed by gas chromatography-mass spectrometry. And its antibacterial effect was evaluated based on the bacterial growth, acid production, biofilm formation and genetic expression of virulence factors by S. mutans. Potential active components of the Thymus essential oil were identified using molecular docking and correlation analysis.

Results

GC–MS analysis showed that the major components in the 6 Spain Thymus essential oils were linalool, α-terpineol, p-cymene, thymol and carvacrol. MIC and MBC analysis showed that 3 Thymus essential oils showed very sensitive antimicrobial activity, and were chosen for further analysis. The 3 Thymus essential oil exhibited a significant inhibitory effect on acid production, adherence and biofilm formation of S. mutans and the expression of virulence genes, such as brpA, gbpB, gtfB, gtfC, gtfD, vicR, spaP and relA. Correlation analysis showed that phenolic components, such as carvacrol and thymol, were positively related to DIZ value, which suggests that they are the potential antimicrobial components. Molecular docking between the Thymus essential oil components and virulence proteins also found that carvacrol and thymol exhibited strong binding affinity with functional domains of virulence genes.

Conclusions

Thymus essential oil showed significant inhibition against the growth and pathogenesis of S. mutans depending on their composition and concentration. And phenolic compounds, such as carvacrol and thymol, are the major active components. Thymus essential oil could be used in oral healthcare products as a potential anti-caries ingredient.
Appendix
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Metadata
Title
Six Spain Thymus essential oils composition analysis and their in vitro and in silico study against Streptococcus mutans
Authors
Su-Yeon Park
Rifat Nowshin Raka
Xiu-Li Hui
Yang Song
Jin-Long Sun
Jie Xiang
Juan Wang
Jian-Ming Jin
Xu-Kai Li
Jun-Song Xiao
Hua Wu
Publication date
01-12-2023
Publisher
BioMed Central
Keyword
Streptococci
Published in
BMC Complementary Medicine and Therapies / Issue 1/2023
Electronic ISSN: 2662-7671
DOI
https://doi.org/10.1186/s12906-023-03928-7

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