Structural And Evolutionary Analysis of Zika Virus NS5 Protein
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 a...
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| Format: | Article |
| Language: | English |
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EDP Sciences
2025-01-01
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| Series: | BIO Web of Conferences |
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| Online Access: | https://www.bio-conferences.org/articles/bioconf/pdf/2025/23/bioconf_nittebio2025_02006.pdf |
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| author | N Sujetha K Rohini N Mohan Prabhu Puniethaa |
| author_facet | N Sujetha K Rohini N Mohan Prabhu Puniethaa |
| author_sort | N Sujetha |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-bfa31740fc4e4cb5862c9bb89ecf01cb |
| institution | DOAJ |
| issn | 2117-4458 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | BIO Web of Conferences |
| spelling | doaj-art-bfa31740fc4e4cb5862c9bb89ecf01cb2025-08-20T03:08:48ZengEDP SciencesBIO Web of Conferences2117-44582025-01-011720200610.1051/bioconf/202517202006bioconf_nittebio2025_02006Structural And Evolutionary Analysis of Zika Virus NS5 ProteinN Sujetha0K Rohini1N Mohan2Prabhu Puniethaa3Undergraduate Student, Department of Biotechnology, K. S. Rangasamy College of TechnologyUndergraduate Student, Department of Biotechnology, K. S. Rangasamy College of TechnologyUndergraduate Student, Department of Biotechnology, K. S. Rangasamy College of TechnologyProfessor, Department of Biotechnology, K. S. Rangasamy College of TechnologyThe 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.https://www.bio-conferences.org/articles/bioconf/pdf/2025/23/bioconf_nittebio2025_02006.pdfzika virusns5 protein3d structuremolecular dynamics simulationphylogenetic treestructural refinement and validation |
| spellingShingle | N Sujetha K Rohini N Mohan Prabhu Puniethaa Structural And Evolutionary Analysis of Zika Virus NS5 Protein BIO Web of Conferences zika virus ns5 protein 3d structure molecular dynamics simulation phylogenetic tree structural refinement and validation |
| title | Structural And Evolutionary Analysis of Zika Virus NS5 Protein |
| title_full | Structural And Evolutionary Analysis of Zika Virus NS5 Protein |
| title_fullStr | Structural And Evolutionary Analysis of Zika Virus NS5 Protein |
| title_full_unstemmed | Structural And Evolutionary Analysis of Zika Virus NS5 Protein |
| title_short | Structural And Evolutionary Analysis of Zika Virus NS5 Protein |
| title_sort | structural and evolutionary analysis of zika virus ns5 protein |
| topic | zika virus ns5 protein 3d structure molecular dynamics simulation phylogenetic tree structural refinement and validation |
| url | https://www.bio-conferences.org/articles/bioconf/pdf/2025/23/bioconf_nittebio2025_02006.pdf |
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