| Issue |
BIO Web Conf.
Volume 172, 2025
International Conference on Nurturing Innovative Technological Trends in Engineering – BIOscience (NITTE-BIO 2025)
|
|
|---|---|---|
| Article Number | 02006 | |
| Number of page(s) | 10 | |
| Section | Bioinformatics / Computational Biology | |
| DOI | https://doi.org/10.1051/bioconf/202517202006 | |
| Published online | 10 April 2025 | |
Structural And Evolutionary Analysis of Zika Virus NS5 Protein
1 Undergraduate Student, Department of Biotechnology, K. S. Rangasamy College of Technology, Tiruchengode, Tamil Nadu, India.
2 Professor, Department of Biotechnology, K. S. Rangasamy College of Technology, Tiruchengode, Tamil Nadu, India.
* Corresponding author: sujetha2002@gmail.com
The Zika virus's (ZIKV) Non-Structural (NS5) protein is an important target for developing antiviral medications and is essential to the virus's reproduction mechanism. An integrated approach to bioinformatics examines its evolutionary, dynamic, and structural features. Multiple sequence alignment and evolutionary trees are necessary for protein function. Alpha helices, beta strands, and random coils are predicted to all have significant secondary structures. Additionally, this approach predicted the three-dimensional structure of NS5, which was then refined and validated to guarantee the molecule's structural integrity. Using solvation in water and molecular dynamics (MD) simulation, the protein's flexibility and stability under physiological conditions were examined. These simulations proved valuable in gaining insights into the conformational dynamics of NS5, linking structural features to functional roles in the viral life cycle. By combining evolutionary analysis, structural modeling, and MD simulations, a comprehensive understanding of NS5’s structure-function relationship emerges, paving the way for novel antiviral therapies targeting this protein.
Key words: Zika virus / NS5 protein / 3D structure / Molecular Dynamics simulation / Phylogenetic tree / Structural refinement and validation
© The Authors, published by EDP Sciences, 2025
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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