In silico design of chimeric peptides for infection resistant implant coatings

Tooth loss has been a widespread dental problem affecting patients of various ages. Replacement of lost teeth with implants is a common practice for managing tooth loss due to their mechanical properties and natural-looking aesthetics. One of the persistent problems associated with dental implants is the risk of infection (periimplantitis) which can occur when bacteria colonize the implant surface leading to inflammation and tissue damage with an eventual implant failure. Infection-resistant antimicrobial coatings have been one of the promising solutions to combat implant infections. The purpose of this study was to design functional chimeric peptides using antimicrobial peptides and hydroxyapatite binding peptides in order to provide an antimicrobial effect to hydroxyapatite-coated titanium dental implants. For this purpose, since titanium implants coated with hydroxyapatite show long-term biocompatibility, chimeric peptides that can provide antimicrobial resistance have been designed by considering antimicrobial peptides in addition to these coatings. Computational analysis, solubility analysis, secondary structure analysis, and conformational change analysis were performed to examine the ability of these formed chimeric peptides to retain their antimicrobial properties. Promising candidates obtained from secondary structure analysis and solubility analysis were examined to preserve their structure and stability by performing conformational change analysis, and the most suitable candidates were decided. Although the results give candidates computationally according to the analysis, these candidates should be confirmed experimentally. When the results from the computational analysis are validated by the experimental analysis, it will set the standard for antimicrobial chimeric peptide design.