Using Bioinformatics Tools to Analyze the Effect of Steviol Glycosides on the C-Glucan Binding Protein of Bacteria Streptococcus mutans Compared to Eugenol
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Abstract
Dental caries is a common and chronic condition caused by bacterial activity that erodes the tooth structure. Streptococcus mutans is the main causative bacteria, which adheres to tooth surfaces and breaks down carbohydrates to produce acids. These acids demineralize tooth enamel, leading to caries. In the current research, the focus was on eugenol and steviol glycosides, which have medicinal properties. Eugenol is a natural compound with analgesic, antibacterial, antiviral, and antioxidant properties, making it a promising option in caries prevention. Steviol glycosides are substances extracted from the stevia plant, and have a wide range of health benefits, including their ability to prevent caries, but their mechanism of action is still under investigation. The aim of the study was to evaluate the efficacy of steviol glycosides compared to eugenol in their interaction with GbpC protein in Streptococcus mutans, and to provide evidence for the potential use of steviol glycosides as a natural option for the prevention of dental caries. In this research, we used an in-silico approach to investigate complexes of 5UQZ (Glucan Binding Protein C) in chain A with eugenol as a control and Steviol glycosides. A virtual screening experiment was performed using PyRx software to improve the accuracy of the association between the compounds and the target protein. The results showed that eugenol achieved a binding degree of -5.9 kcal/mol, while steviol glycosides recorded a higher binding degree of -9.8 kcal/mol. These results indicate that steviol glycosides have a higher efficacy in interacting with the target protein than eugenol. This research highlights the promising potential of steviol glycosides as a natural option for combating dental caries, and lays the foundation for future studies aimed at developing effective and sustainable oral health products.
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