Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics
Abstract Cystic echinococcosis (CE) is a worldwide zoonotic public health issue. The reasons for this include a lack of specific therapy options, increasing antiparasitic drug resistance, a lack of control strategies, and the absence of an approved vaccine. The aim of the current study is to develop...
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BMC
2024-12-01
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| Series: | BMC Molecular and Cell Biology |
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| Online Access: | https://doi.org/10.1186/s12860-024-00524-6 |
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| author | Jadoon Khan Asma Sadiq May M. Alrashed Nosheen Basharat Syed Nadeem Ul Hassan Mohani Tawaf Ali Shah Kotb A. Attia Aamer Ali Shah Hayat Khan Ijaz Ali Arif Ahmed Mohammed |
| author_facet | Jadoon Khan Asma Sadiq May M. Alrashed Nosheen Basharat Syed Nadeem Ul Hassan Mohani Tawaf Ali Shah Kotb A. Attia Aamer Ali Shah Hayat Khan Ijaz Ali Arif Ahmed Mohammed |
| author_sort | Jadoon Khan |
| collection | DOAJ |
| description | Abstract Cystic echinococcosis (CE) is a worldwide zoonotic public health issue. The reasons for this include a lack of specific therapy options, increasing antiparasitic drug resistance, a lack of control strategies, and the absence of an approved vaccine. The aim of the current study is to develop a multiepitope vaccine against CE by in-silico identification and using different Antigen B subunits. The five Echinococcus granulosus antigen B (EgAgB) subunits were examined for eminent antigenic epitopes, and then the best B-cell and Major Histocompatibility Complex MHC-binding epitopes were predicted. Most significant epitopes were combined to create an effective multi-epitope vaccine, which was then validated by testing its secondary and tertiary structures, physicochemical properties, and molecular dynamics (MD) modelling. A multi-epitope vaccine construct of 483 amino acid sequences was designed. It contains B-cell, Helper T Lymphocyte (HTL), and Cytotoxic T Lymphocyte (CTL) epitopes as well as the appropriate adjuvant and linker molecules. The resultant vaccinal construct had a GDT-HA value of 0.9725, RMSD of 0.299, MolProbity of 1.891, Clash score of 13.1, Poor rotamers of 0.9, and qualifying features with Rama favoured of 89.9. It was also highly immunogenic and less allergic. The majority of the amino acids were positioned in the Ramachandran plot’s favourable area, and during the molecular dynamic simulation at 100 ns, no notable structural abnormalities were noticed. The resultant construct was significantly expressed and received good endorsement in the pIB2-SEC13-mEGFP expressional vector. In conclusion, the current in-silico multi-epitope vaccine may be evaluated in-vitro, in-vivo, and in clinical trials as an immunogenic vaccine model. It can also play a vital role in preventing this zoonotic parasite infection. |
| format | Article |
| id | doaj-art-7adab5b7ac4247d0897e047b8c36206e |
| institution | Kabale University |
| issn | 2661-8850 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | BMC |
| record_format | Article |
| series | BMC Molecular and Cell Biology |
| spelling | doaj-art-7adab5b7ac4247d0897e047b8c36206e2025-01-05T12:49:46ZengBMCBMC Molecular and Cell Biology2661-88502024-12-0125111410.1186/s12860-024-00524-6Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informaticsJadoon Khan0Asma Sadiq1May M. Alrashed2Nosheen Basharat3Syed Nadeem Ul Hassan Mohani4Tawaf Ali Shah5Kotb A. Attia6Aamer Ali Shah7Hayat Khan8Ijaz Ali9Arif Ahmed Mohammed10Faculty of Biological Sciences, Department of Microbiology, Quaid I Azam University IslamabadDepartment of Microbiology, University of JhangDepartment of Clinical Laboratory Science, College of Applied Medical Sciences, King Saud UniversityMolecular Virology Laboratory, Department of Biosciences, COMSATS University IslamabadDepartment of Pharmacy, Sarhad University of Science and Information Technology, Islamabad CampusCollege of Agriculture Engineering and Food Science, Shandong University of TechnologyDepartment of Biochemistry, College of Science, King Saud UniversityFaculty of Biological Sciences, Department of Microbiology, Quaid I Azam University IslamabadDepartment of Health and Biological Sciences, Abasyn UniversityMolecular Virology Laboratory, Department of Biosciences, COMSATS University IslamabadDepartment of Biochemistry, College of Science, King Saud UniversityAbstract Cystic echinococcosis (CE) is a worldwide zoonotic public health issue. The reasons for this include a lack of specific therapy options, increasing antiparasitic drug resistance, a lack of control strategies, and the absence of an approved vaccine. The aim of the current study is to develop a multiepitope vaccine against CE by in-silico identification and using different Antigen B subunits. The five Echinococcus granulosus antigen B (EgAgB) subunits were examined for eminent antigenic epitopes, and then the best B-cell and Major Histocompatibility Complex MHC-binding epitopes were predicted. Most significant epitopes were combined to create an effective multi-epitope vaccine, which was then validated by testing its secondary and tertiary structures, physicochemical properties, and molecular dynamics (MD) modelling. A multi-epitope vaccine construct of 483 amino acid sequences was designed. It contains B-cell, Helper T Lymphocyte (HTL), and Cytotoxic T Lymphocyte (CTL) epitopes as well as the appropriate adjuvant and linker molecules. The resultant vaccinal construct had a GDT-HA value of 0.9725, RMSD of 0.299, MolProbity of 1.891, Clash score of 13.1, Poor rotamers of 0.9, and qualifying features with Rama favoured of 89.9. It was also highly immunogenic and less allergic. The majority of the amino acids were positioned in the Ramachandran plot’s favourable area, and during the molecular dynamic simulation at 100 ns, no notable structural abnormalities were noticed. The resultant construct was significantly expressed and received good endorsement in the pIB2-SEC13-mEGFP expressional vector. In conclusion, the current in-silico multi-epitope vaccine may be evaluated in-vitro, in-vivo, and in clinical trials as an immunogenic vaccine model. It can also play a vital role in preventing this zoonotic parasite infection.https://doi.org/10.1186/s12860-024-00524-6Cystic echinococcosisMulti-epitope vaccineEchinococcus granulosus Antigen B (EgAgB)Cytotoxic T lymphocytesB-cell epitopespIB2-SEC13-mEGFP expression vector |
| spellingShingle | Jadoon Khan Asma Sadiq May M. Alrashed Nosheen Basharat Syed Nadeem Ul Hassan Mohani Tawaf Ali Shah Kotb A. Attia Aamer Ali Shah Hayat Khan Ijaz Ali Arif Ahmed Mohammed Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics BMC Molecular and Cell Biology Cystic echinococcosis Multi-epitope vaccine Echinococcus granulosus Antigen B (EgAgB) Cytotoxic T lymphocytes B-cell epitopes pIB2-SEC13-mEGFP expression vector |
| title | Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics |
| title_full | Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics |
| title_fullStr | Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics |
| title_full_unstemmed | Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics |
| title_short | Designing multi-epitope vaccines against Echinococcus granulosus: an in-silico study using immuno-informatics |
| title_sort | designing multi epitope vaccines against echinococcus granulosus an in silico study using immuno informatics |
| topic | Cystic echinococcosis Multi-epitope vaccine Echinococcus granulosus Antigen B (EgAgB) Cytotoxic T lymphocytes B-cell epitopes pIB2-SEC13-mEGFP expression vector |
| url | https://doi.org/10.1186/s12860-024-00524-6 |
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