Deciphering the Influence of Leached Orthodontic Compounds on Dental Pulp Stem Cell Proteins
Abdulrahman Alshehri, Mohammed Sawady
Keywords :
Bisphenol A, Bone mineralization, Bone morphogenetic, Monomers, Odontogenic differentiation, Orthodontic material leaching compounds, Osteogenic, Protein
Citation Information :
Alshehri A, Sawady M. Deciphering the Influence of Leached Orthodontic Compounds on Dental Pulp Stem Cell Proteins. World J Dent 2024; 15 (7):551-559.
Aim and background: Resin-based composites with multiple monomers are widely utilized as orthodontic materials in dentistry. Long-term orthodontic treatment may release monomers into the dental pulp that influence odontogenic differentiation. Hence, we aimed to examine the impact of orthodontic material leaching compounds (OMLCs) on crucial proteins of odontogenic differentiation.
Materials and methods: Ribonucleic acid-sequencing (RNA-seq) analysis, co-expressed network, clustering, literature mining of reported OMLCs, molecular docking, molecular mechanics with generalized born and surface area solvation (MM-GBSA), and molecular dynamic simulation were utilized to predict the effect of OMLCs on the key proteins involved in odontogenic cell differentiation with osteogenic potential and bone mineralization properties.
Results: RNA-Seq analysis of the GSE244057 dataset revealed 196 upregulated genes during odontogenic differentiation. They formed a co-expressed gene network with 187 genes and 14,947 connective edges. The clustering algorithm recognized a highly integrated network with 71 genes and 4,993 edges, among which bone morphogenetic protein 4 (BMP4) was identified as a bottleneck that triggers differentiation of odontogenic cells. On molecular docking and MM-GBSA analysis of the reported 34 OMLCs against BMP4, significant affinity of bisphenol A (BPA) toward BMP4 was revealed at –4.178 and –38.34 kcal/mol.
Conclusion: Finally, the molecular dynamics (MD) simulation of the BMP4-BPA complex exhibited consistent stability in a solvated model during the simulation period. Overall, the findings suggest that BPA released from the orthodontic material may have a significant impact on orthodontic treatment. Further research should be carried out on BPA to confirm its influence on treatment efficacy.
Clinical significance: Based on the results, it can be concluded that BPA released from the orthodontic material has the highest binding affinity among the other analyzed compounds.
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