In-silico immunoinformatic vaccine design for Treponema denticola ergothionase.

Abstract

Background: Treponema denticola, a well-studied oral spirochete, adheres, invades, and damages periodontal tissues - gram-negative, anaerobic Treponema denticola. In previous research, sub-gingival spirochetes have correlated positively with dental plaque score, pocket, and clinical attachment level measurements. Hence, the study aims to design an immunoinformatic vaccine using a reverse vaccinology approach against Treponema denticola ergothionase.

Methods: Protein Data Bank provided the FASTA amino acid sequence of Treponema denticola. Antigenicity, toxicity, and stability of discovered T-cell epitopes were evaluated to develop 6S7Q B and A multiepitope vaccination design. The Vaccine's dual major histocompatibility complex (MHC I and II) binding epitopes were also predicted. The designed Vaccine's identified epitope sequence and secondary structure were then predicted and validated. Protein-protein interactions involving ergothionase and human beta-defensins were investigated using molecular docking.

Results: The designed Vaccine had high antigenicity, toxicity, and stability. The Vaccine's three-dimensional structure demonstrated a significant association with beta-defensin. Its low binding energy score of -827.6 kcal/mol indicates that the immune system will respond favorably to the antigen.

Conclusions: In this research, we employed immunoinformatic techniques to create a reverse vaccination effort to develop an in-silico vaccine.