Full Text Available
Note: Clicking the button above will open the full text document at the original institutional repository in a new window.
Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design
This thesis delves into the intricate world of carbohydrate-based vaccine antigens by employing molecular dynamics simulations to explore the link between their structure, conformation, and immune function. Through a series of four case studies focused on distinct antigen targets, this research aims...
Saved in:
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Thesis |
| Language: | Eng |
| Published: |
Department of Chemistry
2025
|
| Subjects: | |
| Tags: |
No Tags, Be the first to tag this record!
|
| _version_ | 1867614187623022592 |
|---|---|
| access_status_str | Open Access |
| author | Richardson, Nicole |
| author2 | Ravenscroft, Neil |
| author_browse | Ravenscroft, Neil Richardson, Nicole |
| author_facet | Ravenscroft, Neil Richardson, Nicole |
| author_sort | Richardson, Nicole |
| collection | Thesis |
| description | This thesis delves into the intricate world of carbohydrate-based vaccine antigens by employing molecular dynamics simulations to explore the link between their structure, conformation, and immune function. Through a series of four case studies focused on distinct antigen targets, this research aims to predict potential cross-reactivity and cross-protection, rationalize observed immunological reactivity, and provide valuable insights into key epitopes and mechanisms for antigen-antibody binding. The case studies encompass the following antigens: Haemophilus influenzae types a and b, Pasteurella multocida types B and E, Shigella flexneri serotype 6, and Streptococcus pneumoniae serogroup 10. Each case study investigates the conformational aspects of the target antigens and proposes mechanisms for observed immunological phenomena. The collective findings propose connections between structural features, conformation, and their functional implications in immune responses, drawing parallels across individual case studies to elucidate recurring motifs employed by pathogens such as antigen flexibility, structural modifications, and backbone shielding. By broadening the applicability of this molecular modeling methodology, this research extends its reach to new target antigens and pathogens, offering a complementary approach to establish structurefunction relationships and inform rational vaccine design. The continued application of this methodology to a diverse range of vaccine targets promises to expand the knowledge base in the field, potentially revealing additional features harnessed by pathogens to gain a competitive advantage and evade the immune system. As computational power continues to grow, the cost and time associated with modeling may decrease, further enhancing the accessibility of this methodology for future vaccine development endeavors. |
| format | Thesis |
| id | oai:open.uct.ac.za:11427/40865 |
| institution | University of Cape Town (South Africa) |
| language | Eng |
| last_indexed | 2026-06-10T12:48:03.692Z |
| license_str | Not specified — see source repository |
| provenance_str_mv | Harvested via OAI-PMH from UCTD — University of Cape Town Open Access Repository |
| publishDate | 2025 |
| publishDateRange | 2025 |
| publishDateSort | 2025 |
| publisher | Department of Chemistry |
| publisherStr | Department of Chemistry |
| record_format | dspace |
| source_str | UCTD — University of Cape Town Open Access Repository |
| spelling | oai:open.uct.ac.za:11427/40865 Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design Richardson, Nicole Ravenscroft, Neil Kuttel Michelle Chemistry This thesis delves into the intricate world of carbohydrate-based vaccine antigens by employing molecular dynamics simulations to explore the link between their structure, conformation, and immune function. Through a series of four case studies focused on distinct antigen targets, this research aims to predict potential cross-reactivity and cross-protection, rationalize observed immunological reactivity, and provide valuable insights into key epitopes and mechanisms for antigen-antibody binding. The case studies encompass the following antigens: Haemophilus influenzae types a and b, Pasteurella multocida types B and E, Shigella flexneri serotype 6, and Streptococcus pneumoniae serogroup 10. Each case study investigates the conformational aspects of the target antigens and proposes mechanisms for observed immunological phenomena. The collective findings propose connections between structural features, conformation, and their functional implications in immune responses, drawing parallels across individual case studies to elucidate recurring motifs employed by pathogens such as antigen flexibility, structural modifications, and backbone shielding. By broadening the applicability of this molecular modeling methodology, this research extends its reach to new target antigens and pathogens, offering a complementary approach to establish structurefunction relationships and inform rational vaccine design. The continued application of this methodology to a diverse range of vaccine targets promises to expand the knowledge base in the field, potentially revealing additional features harnessed by pathogens to gain a competitive advantage and evade the immune system. As computational power continues to grow, the cost and time associated with modeling may decrease, further enhancing the accessibility of this methodology for future vaccine development endeavors. 2025-02-03T06:50:21Z 2025-02-03T06:50:21Z 2024 2024-07-09T12:46:51Z Thesis / Dissertation Doctoral PhD http://hdl.handle.net/11427/40865 Eng application/pdf Department of Chemistry Faculty of Science University of Cape Town |
| spellingShingle | Chemistry Richardson, Nicole Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design |
| thesis_degree_str | Doctoral |
| title | Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design |
| title_full | Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design |
| title_fullStr | Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design |
| title_full_unstemmed | Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design |
| title_short | Molecular modeling studies of carbohydrate vaccine antigens: informing the future of vaccine design |
| title_sort | molecular modeling studies of carbohydrate vaccine antigens informing the future of vaccine design |
| topic | Chemistry |
| url | http://hdl.handle.net/11427/40865 |
| work_keys_str_mv | AT richardsonnicole molecularmodelingstudiesofcarbohydratevaccineantigensinformingthefutureofvaccinedesign |