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Advanced Research in Biomolecular Design for Medical Applications

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Informatics".

Deadline for manuscript submissions: 20 December 2024 | Viewed by 1563

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School of Mathematics and Statistics, Victoria University of Wellington, Wellington 6012, New Zealand
Interests: machine learning; data science; deep learning; biomedical image analysis; health informatics; bioinformatics; drug discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

This Special Issue aims to investigate the rapidly growing field of biomolecular design and its ability to bring about significant changes in the field of medical science. It will explore the various applications of biomolecular design approaches, highlighting their crucial role in transforming medical diagnostics, therapies, and treatments.

Biomolecular design is an interdisciplinary field that combines biology, chemistry, and computer sciences to develop new methods for engineering and controlling molecular structures. By combining advanced technology and research methods, this sector has great potential for tackling urgent medical issues, including the creation of targeted drug delivery systems and the development of personalized medications that cater to unique patient requirements.

The main goal of this Special Issue is to present and distribute innovative research, approaches, and breakthroughs in biomolecular design that are primarily focused on medicinal applications. We seek to collect papers that provide clear insights into new tactics, cutting-edge methodologies, and revolutionary applications in biomolecular design that have the potential to greatly influence medical interventions, illness management, and healthcare outcomes.

Dr. Binh P. Nguyen
Guest Editor

Manuscript Submission Information

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Keywords

  • drug discovery
  • biomolecular design
  • molecular modeling
  • bioinformatics
  • medical applications

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Published Papers (1 paper)

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Research

17 pages, 6375 KiB  
Article
Designing a Candidate Multi-Epitope Vaccine against Transmissible Gastroenteritis Virus Based on Immunoinformatic and Molecular Dynamics
by Yihan Bai, Mingxia Zhou, Naidong Wang, Yi Yang and Dongliang Wang
Int. J. Mol. Sci. 2024, 25(16), 8828; https://doi.org/10.3390/ijms25168828 - 13 Aug 2024
Cited by 1 | Viewed by 1045
Abstract
Transmissible gastroenteritis virus (TGEV) is an etiological agent of enteric disease that results in high mortality rates in piglets. The economic impact of the virus is considerable, causing significant losses to the pig industry. The development of an efficacious subunit vaccine to provide [...] Read more.
Transmissible gastroenteritis virus (TGEV) is an etiological agent of enteric disease that results in high mortality rates in piglets. The economic impact of the virus is considerable, causing significant losses to the pig industry. The development of an efficacious subunit vaccine to provide promising protection against TGEV is of the utmost importance. The viral antigen, spike glycoprotein (S), is widely regarded as one of the most effective antigenic components for vaccine research. In this study, we employed immunoinformatics and molecular dynamics approaches to develop an ‘ideal’ multi-epitope vaccine. Firstly, the dominant, non-toxic, highly antigenic T (Th, CTL) and B cell epitopes predicted from the TGEV S protein were artificially engineered in tandem to design candidate subunit vaccines. Molecular docking and dynamic simulation results demonstrate that it exhibits robust interactions with toll-like receptor 4 (TLR4). Of particular significance was the finding that the vaccine was capable of triggering an immune response in mammals, as evidenced by the immune simulation results. The humoral aspect is typified by elevated levels of IgG and IgM, whereas the cellular immune aspect is capable of eliciting the robust production of interleukins and cytokines (IFN-γ and IL-2). Furthermore, the adoption of E. coli expression systems for the preparation of vaccines will also result in cost savings. This study offers logical guidelines for the development of a secure and efficacious subunit vaccine against TGEV, in addition to providing a novel theoretical foundation and strategy to prevent associated CoV infections. Full article
(This article belongs to the Special Issue Advanced Research in Biomolecular Design for Medical Applications)
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