Citation Information :
Renugalakshmi A. Oral Microbiome Dynamics in High-caries-risk Children: Impact of Silver Diamine Fluoride on Key Microbial Drug Targets. World J Dent 2024; 15 (10):817-825.
Aims and background: Dental caries is a complex condition that predominantly affects children globally. Poor oral health causes microbial infection, which lowers children's quality of life. The World Health Organization (WHO) endorses silver diamine fluoride (SDF) as a vital medication for dental caries. Nevertheless, the SDF mechanism responsible for microbial inhibition remains under investigation. This study aims to conduct computational investigations to assess the efficacy of SDF against key microbes that are commonly associated with the risk of dental caries in children.
Materials and methods: The preliminary phase of investigation involves metagenome analysis on 16S rRNA-sequenced data PRJNA822409 retrieved from National Center for Biotechnology Information (NCBI) repositories, classified into low caries risk (LCR) and high caries risk (HCR) participants.
Results: The analysis reveals Streptococcus as the most dominant microbe at the genus level in HCR compared to LCR individuals. Subsequently, through literature mining, five therapeutic targets against Streptococcus were identified: SMU.2055, Sortase A, glucosyltransferase-S, MurA enzyme, and VicK protein, and subjected to docking with the SDF. The glucosyltransferase-S target exhibited the highest binding affinity (–6.996 kcal/mol) with SDF among the analyzed targets. Conversely, the Sortase A protein exhibited a low binding energy of –2.655 kcal/mol with SDF. Finally, the molecular dynamic simulation was performed, which established the structural stability of SDF with the glucosyltransferase-S target.
Conclusion: This study demonstrates the SDF inhibitory mechanism of Streptococcus through the glucosyltransferase-S target.
Clinical significance: SDF application can be utilized in the treatment of dental caries in the pediatric population.
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