Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i>
The most critical issues in computational biology are characterizing and predicting uncharacterized proteins’ secondary and tertiary structures from their uploaded amino acid sequences in databases. <i>Aedes albopictus (A. albopictus)</i>, sometimes referred to as the Asian tiger mosquit...
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2024-08-01
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| author | Mamun Al Asad Surya Afrin Shorna Md. Mizan Rajib Deb Nath Abu Saim Mohammad Saikat Md. Ekhlas Uddin |
| author_facet | Mamun Al Asad Surya Afrin Shorna Md. Mizan Rajib Deb Nath Abu Saim Mohammad Saikat Md. Ekhlas Uddin |
| author_sort | Mamun Al Asad |
| collection | DOAJ |
| description | The most critical issues in computational biology are characterizing and predicting uncharacterized proteins’ secondary and tertiary structures from their uploaded amino acid sequences in databases. <i>Aedes albopictus (A. albopictus)</i>, sometimes referred to as the Asian tiger mosquito or forest mosquito and the carrier of dengue-like diseases, has many proteins, many of which are still poorly understood. The current work aims at elucidating the physicochemical properties and structures of the as-yet-uncharacterized <i>A. albopictus</i> protein AEW48448.1. ExPASy Protaram, CD Search, SOPMA, PSIPRED, and other advanced computerized tools were used following the standard flowchart for characterizing a hypothetical protein to ascertain the roles and structures of AEW48448.1. After identifying the protein’s secondary and tertiary structures, the structures were evaluated for quality using tools like PROCHECK and the ProSA-web. Later, the active site was also discovered using CASTp v3.0. The protein is more stable because it has a higher aliphatic index value and more negatively charged than positively charged residues. The modeling of the proteins’ 2D and 3D structures using multiple bioinformatics tools confirmed that they had domains, indicating that they were functional proteins involved in the host’s antiviral, cytokine, and interferon production pathways. Additionally, the protein was revealed to have active regions where ligands may bind. This work aims at elucidating the characteristics and structures of an uncharacterized <i>A. albopictus</i> protein that may serve as a therapeutic target for the creation of antiviral candidates and vaccines. |
| format | Article |
| id | doaj-art-9adf3a024bbb49f99271445b18d76ee8 |
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| language | English |
| publishDate | 2024-08-01 |
| publisher | MDPI AG |
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| series | Engineering Proceedings |
| spelling | doaj-art-9adf3a024bbb49f99271445b18d76ee82025-06-25T13:46:10ZengMDPI AGEngineering Proceedings2673-45912024-08-016711410.3390/engproc2024067014Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> Mamun Al Asad0Surya Afrin Shorna1Md. Mizan2Rajib Deb Nath3Abu Saim Mohammad Saikat4Md. Ekhlas Uddin5Department of Biotechnology and Genetic Engineering, Islamic University, Kushtia 7003, BangladeshDepartment of Computational Biology and Bioinformatics, Advanced Bioscience Center for Collaborative Research (ABSCCR), Rajshahi 6250, BangladeshPharmacy Discipline, Khulna University, Khulna 9208, BangladeshJalalabad Ragib-Rabeya Medical College, Sylhet 3100, BangladeshDepartment of Computational Biology and Bioinformatics, Advanced Bioscience Center for Collaborative Research (ABSCCR), Rajshahi 6250, BangladeshDepartment of Computational Biology and Bioinformatics, Advanced Bioscience Center for Collaborative Research (ABSCCR), Rajshahi 6250, BangladeshThe most critical issues in computational biology are characterizing and predicting uncharacterized proteins’ secondary and tertiary structures from their uploaded amino acid sequences in databases. <i>Aedes albopictus (A. albopictus)</i>, sometimes referred to as the Asian tiger mosquito or forest mosquito and the carrier of dengue-like diseases, has many proteins, many of which are still poorly understood. The current work aims at elucidating the physicochemical properties and structures of the as-yet-uncharacterized <i>A. albopictus</i> protein AEW48448.1. ExPASy Protaram, CD Search, SOPMA, PSIPRED, and other advanced computerized tools were used following the standard flowchart for characterizing a hypothetical protein to ascertain the roles and structures of AEW48448.1. After identifying the protein’s secondary and tertiary structures, the structures were evaluated for quality using tools like PROCHECK and the ProSA-web. Later, the active site was also discovered using CASTp v3.0. The protein is more stable because it has a higher aliphatic index value and more negatively charged than positively charged residues. The modeling of the proteins’ 2D and 3D structures using multiple bioinformatics tools confirmed that they had domains, indicating that they were functional proteins involved in the host’s antiviral, cytokine, and interferon production pathways. Additionally, the protein was revealed to have active regions where ligands may bind. This work aims at elucidating the characteristics and structures of an uncharacterized <i>A. albopictus</i> protein that may serve as a therapeutic target for the creation of antiviral candidates and vaccines.https://www.mdpi.com/2673-4591/67/1/14<i>Aedes albopictus</i>functional annotationprotein-protein interactionsmolecular characterization |
| spellingShingle | Mamun Al Asad Surya Afrin Shorna Md. Mizan Rajib Deb Nath Abu Saim Mohammad Saikat Md. Ekhlas Uddin Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> Engineering Proceedings <i>Aedes albopictus</i> functional annotation protein-protein interactions molecular characterization |
| title | Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> |
| title_full | Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> |
| title_fullStr | Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> |
| title_full_unstemmed | Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> |
| title_short | Bioinformatics Approaches for the Molecular Characterization and Structural Elucidation of a Hypothetical Protein of <i>Aedes albopictus</i> |
| title_sort | bioinformatics approaches for the molecular characterization and structural elucidation of a hypothetical protein of i aedes albopictus i |
| topic | <i>Aedes albopictus</i> functional annotation protein-protein interactions molecular characterization |
| url | https://www.mdpi.com/2673-4591/67/1/14 |
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