Computational Insights Into Antimicrobial Peptide-Enhanced Dental Resin Composites: Targeting Porphyromonas gingivalis Heme-Binding Proteins and Biofilms.

ABSTRACT: The research aimed at investigating the antibacterial potential of dental resin composites when combined with various antimicrobial peptides (AMPs) against Porphyromonas gingivalis heme-binding proteins, which are associated with biofilm-related infections in restorative dentistry. A multistage computational approach was implemented to assess the AMP interactions. Molecular docking analyses demonstrated the promising binding of resin constituents with AMPs, and Pardaxin exhibited the highest binding affinity, followed by Tachystatin and Thermolysin. The best performing AMPs were then docked with P. gingivalis heme-binding proteins, and the complexes were subjected to 100 ns molecular dynamics simulations for stability assessment. The simulations confirmed stable interactions, while MM/PBSA

SUBMITTER: Saini RS 

PROVIDER: S-EPMC12669076 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature