In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis
Background Mycobacterium tuberculosis (MTb) is a highly infectious pathogen and a global health threat due to its resilient cell wall and immune evasion strategies. Despite the availability of the antituberculosis Bacille Calmette-Guérin (BCG) vaccine, its efficacy varies (0%–80%) and gradually decr...
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Termedia Publishing House
2025-03-01
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| Series: | BioTechnologia |
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| Online Access: | https://www.biotechnologia-journal.org/-In-silico-screening-and-identification-of-CTL-and-HTL-epitopes-in-the-secreted-virulence,201461,0,2.html |
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| author | Edward Kevin Bragais Francisco M. Heralde III Kim Claudette J. Fernandez Salvador Eugenio C. Caoili Leana Rich Herrera-Ong |
| author_facet | Edward Kevin Bragais Francisco M. Heralde III Kim Claudette J. Fernandez Salvador Eugenio C. Caoili Leana Rich Herrera-Ong |
| author_sort | Edward Kevin Bragais |
| collection | DOAJ |
| description | Background
Mycobacterium tuberculosis (MTb) is a highly infectious pathogen and a global health threat due to its resilient cell wall and immune evasion strategies. Despite the availability of the antituberculosis Bacille Calmette-Guérin (BCG) vaccine, its efficacy varies (0%–80%) and gradually decreases over time. This study aimed to identify cytotoxic T-lymphocyte (CTL) and helper T-lymphocyte (HTL) epitopes in MTb secretory proteins using immunoinformatics tools.
Material and methods
The Protein Variability Server was used to identify highly conserved sequences, and epitope population coverage was estimated for the Southeast Asian (SEA) region. Selected epitopes were also docked to their major histocompatibility complex alleles.
Results
Five secretory proteins critical to MTb pathogenesis and virulence were identified as antigenic (antigenicity score > 0.4). Predicted epitopes had IC50 values ≤ 500 nM, indicating strong binding affinity, with an estimated 94% population coverage in SEA. All candidate epitopes were highly conserved (Shannon index ≤ 0.1) and showed no significant sequence similarity to human proteins, allergens, or toxic peptides. Docking analysis confirmed favorable binding to their corresponding HLA alleles, as indicated by low Gibbs free energy change (ΔG) values and dissociation constants (KD nM).
Conclusions
Overall, this study identified immunoactive CTL and HTL epitopes that could serve as
promising candidates for future antiTB vaccine development. Further in vitro and in vivo studies are required to validate these preliminary findings. |
| format | Article |
| id | doaj-art-a680475acffc407b8cebcaeac6430aab |
| institution | OA Journals |
| issn | 0860-7796 2353-9461 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Termedia Publishing House |
| record_format | Article |
| series | BioTechnologia |
| spelling | doaj-art-a680475acffc407b8cebcaeac6430aab2025-08-20T02:30:32ZengTermedia Publishing HouseBioTechnologia0860-77962353-94612025-03-011061637610.5114/bta/201461201461In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosisEdward Kevin Bragais0Francisco M. Heralde III1Kim Claudette J. Fernandez2Salvador Eugenio C. Caoili3Leana Rich Herrera-Ong4Department of Biochemistry and Molecular Biology, College of Medicine, University of the Philippines Manila, Manila, PhilippinesDepartment of Biochemistry and Molecular Biology, College of Medicine, University of the Philippines Manila, Manila, PhilippinesDepartment of Biochemistry and Molecular Biology, College of Medicine, University of the Philippines Manila, Manila, PhilippinesDepartment of Biochemistry and Molecular Biology, College of Medicine, University of the Philippines Manila, Manila, PhilippinesDepartment of Biochemistry and Molecular Biology, College of Medicine, University of the Philippines Manila, Manila, PhilippinesBackground Mycobacterium tuberculosis (MTb) is a highly infectious pathogen and a global health threat due to its resilient cell wall and immune evasion strategies. Despite the availability of the antituberculosis Bacille Calmette-Guérin (BCG) vaccine, its efficacy varies (0%–80%) and gradually decreases over time. This study aimed to identify cytotoxic T-lymphocyte (CTL) and helper T-lymphocyte (HTL) epitopes in MTb secretory proteins using immunoinformatics tools. Material and methods The Protein Variability Server was used to identify highly conserved sequences, and epitope population coverage was estimated for the Southeast Asian (SEA) region. Selected epitopes were also docked to their major histocompatibility complex alleles. Results Five secretory proteins critical to MTb pathogenesis and virulence were identified as antigenic (antigenicity score > 0.4). Predicted epitopes had IC50 values ≤ 500 nM, indicating strong binding affinity, with an estimated 94% population coverage in SEA. All candidate epitopes were highly conserved (Shannon index ≤ 0.1) and showed no significant sequence similarity to human proteins, allergens, or toxic peptides. Docking analysis confirmed favorable binding to their corresponding HLA alleles, as indicated by low Gibbs free energy change (ΔG) values and dissociation constants (KD nM). Conclusions Overall, this study identified immunoactive CTL and HTL epitopes that could serve as promising candidates for future antiTB vaccine development. Further in vitro and in vivo studies are required to validate these preliminary findings.https://www.biotechnologia-journal.org/-In-silico-screening-and-identification-of-CTL-and-HTL-epitopes-in-the-secreted-virulence,201461,0,2.htmlmycobacterium tuberculosiscytotoxic t-cell epitopeshelper t-cell epitopesimmunoinformatics |
| spellingShingle | Edward Kevin Bragais Francisco M. Heralde III Kim Claudette J. Fernandez Salvador Eugenio C. Caoili Leana Rich Herrera-Ong In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis BioTechnologia mycobacterium tuberculosis cytotoxic t-cell epitopes helper t-cell epitopes immunoinformatics |
| title | In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis |
| title_full | In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis |
| title_fullStr | In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis |
| title_full_unstemmed | In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis |
| title_short | In silico screening and identification of CTL and HTL epitopes in the secreted virulence factors of Mycobacterium tuberculosis |
| title_sort | in silico screening and identification of ctl and htl epitopes in the secreted virulence factors of mycobacterium tuberculosis |
| topic | mycobacterium tuberculosis cytotoxic t-cell epitopes helper t-cell epitopes immunoinformatics |
| url | https://www.biotechnologia-journal.org/-In-silico-screening-and-identification-of-CTL-and-HTL-epitopes-in-the-secreted-virulence,201461,0,2.html |
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