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In-silico immunoinformatic vaccine design for Treponema denticola ergothionase
Jai P Rexlin1, Jeevitha Manickavasagam1, Pradeep K Yadalam2
1Department of Periodontics, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, India.
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.
