Jai P Rexlin, Jeevitha Manickavasagam, Pradeep K Yadalam, Deepti Shrivastava, Kumar C Srivastava, Vincenzo Ronsivalle, Marco Cicciù, Giuseppe Minervini
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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.</p><p><strong>Results: </strong>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.</p><p><strong>Conclusions: </strong>In this research, we employed immunoinformatic techniques to create a reverse vaccination effort to develop an in-silico vaccine.</p>","PeriodicalId":18709,"journal":{"name":"Minerva dental and oral science","volume":" ","pages":""},"PeriodicalIF":1.1000,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"In-silico immunoinformatic vaccine design for Treponema denticola ergothionase.\",\"authors\":\"Jai P Rexlin, Jeevitha Manickavasagam, Pradeep K Yadalam, Deepti Shrivastava, Kumar C Srivastava, Vincenzo Ronsivalle, Marco Cicciù, Giuseppe Minervini\",\"doi\":\"10.23736/S2724-6329.24.04915-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Background: </strong>Treponema denticola, a well-studied oral spirochete, adheres, invades, and damages periodontal tissues - gram-negative, anaerobic Treponema denticola. 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引用次数: 0
摘要
背景:牙周特雷波纳菌是一种研究较多的口腔螺旋体,它能粘附、侵入和破坏牙周组织--革兰氏阴性、厌氧的牙周特雷波纳菌。在以往的研究中,龈下螺旋体与牙菌斑评分、牙周袋和临床附着水平测量呈正相关。因此,本研究旨在采用逆向疫苗学方法设计一种针对牙龈特雷波纳菌麦角硫糖酶的免疫形式疫苗:方法:蛋白质数据库提供了齿孢子菌的 FASTA 氨基酸序列。对已发现的 T 细胞表位的抗原性、毒性和稳定性进行了评估,以开发 6S7Q B 和 A 多表位疫苗设计。还预测了疫苗的双重主要组织相容性复合体(MHC I 和 II)结合表位。然后,对设计疫苗的表位序列和二级结构进行了预测和验证。使用分子对接法研究了麦角硫蛋白酶和人类β-防御素之间的蛋白质相互作用:结果:设计的疫苗具有较高的抗原性、毒性和稳定性。疫苗的三维结构表明它与β-防御素有明显的结合。它的结合能得分较低,为-827.6 kcal/mol,这表明免疫系统会对抗原做出有利的反应:在这项研究中,我们采用了免疫形式化技术,建立了一种反向接种工作,以开发出一种内螺纹疫苗。
In-silico immunoinformatic vaccine design for Treponema denticola ergothionase.
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.