ORIGINAL ARTICLE   

Minerva Dental and Oral Science 2024 Oct 29

DOI: 10.23736/S2724-6329.24.04915-5

Copyright © 2024 EDIZIONI MINERVA MEDICA

lingua: Inglese

In-silico immunoinformatic vaccine design for Treponema denticola ergothionase

Jai P. REXLIN ¹, Jeevitha MANICKAVASAGAM ¹, Pradeep K. YADALAM ¹ ✉, Deepti SHRIVASTAVA ^{1, 2}, Kumar C. SRIVASTAVA ³, Vincenzo RONSIVALLE ⁴, Marco CICCIÙ ⁴, Giuseppe MINERVINI ^{5, 6}

¹ Department of Periodontics, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, India; ² Periodontics Division, Preventive Dentistry Department, College of Dentistry, Jouf University, Sakaka, Saudi Arabia; ³ Oral Medicine and Maxillofacial Radiology Division, Department of Oral and Maxillofacial Surgery and Diagnostic Sciences, College of Dentistry, Jouf University, Sakaka, Saudi Arabia; ⁴ Department of Biomedical and Surgical and Biomedical Sciences, Catania University, Catania, Italy; ⁵ Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences (SIMATS), Saveetha University, Chennai, India; ⁶ Multidisciplinary Department of Medical-Surgical and Dental Specialties, Luigi Vanvitelli University of Campania, Naples, Italy

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.

KEY WORDS: Vaccines; Dentists; Treponema denticola; Vaccinology