| Author | Penna, Beatriz Rosa | |
| Author | Gomes Neto, Francisco | |
| Author | Ano Bom, Cristiane Dinis | |
| Author | Valente, Ana Paula Canedo | |
| Access date | 2024-11-22T18:48:57Z | |
| Available date | 2024-11-22T18:48:57Z | |
| Document date | 2024 | |
| Citation | PENNA, Beatriz Rosa et al. Structural and dynamics characterization of the Zika virus NS2B using nuclear magnetic resonance and RosettaMP: a challenge for transmembrane protein studies. International Journal of Biological Macromolecules, v. 280, n. 4, p. 1-12, Nov. 2024. | |
| ISSN | 0141-8130 | |
| URI | https://www.arca.fiocruz.br/handle/icict/67241 | |
| Description | Produção científica do Laboratório de Toxinologia. | pt_BR |
| Sponsorship | Beatriz Rosa Penna acknowledges receipt of Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) and Fundação de Amparo à Pesquisa do Estado do Rio de Janeiro (FAPERJ) research fellowship. Ana Paula Canedo Valente acknowledges receipt of a research grant from CNPq and FAPERJ and is recipient of CNPq and FAPERJ research fellowships. Cristiane Dinis Ano Bom acknowledges receipt of a research grant from FAPERJ. | |
| Language | eng | en_US |
| Publisher | Elsevier | |
| Previous version | https://www.arca.fiocruz.br/handle/icict/66164 | |
| Rights | restricted access | |
| Title | Structural and dynamics characterization of the Zika virus NS2B using nuclear magnetic resonance and RosettaMP: a challenge for transmembrane protein studies | en_US |
| Type | Article | |
| DOI | 10.1016/j.ijbiomac.2024.136074 | |
| Abstract | Zika virus (ZIKV) is an emergent flavivirus that represents a global public health concern due to its association with severe neurological disorders. NS2B is a multifunctional viral membrane protein primarily used to regulate viral protease activity and is crucial for virus replication, making it an appealing target for antiviral drugs. This study presents the structural elucidation of full-length ZIKV NS2B in sodium dodecyl sulfate (SDS) micelles using solution nuclear magnetic resonance experimental data and RosettaMP. The protein structure has four transmembrane α-helices, two amphipathic α-helices, and a β-hairpin in the hydrophilic region. NS2B presented secondary and tertiary stability in different concentrations of SDS. Furthermore, we studied the dynamics of NS2B in SDS micelles through relaxation parameters and paramagnetic relaxation enhancement experiments. The findings were consistent with the structural calculations. Our work will be essential in understanding the role of NS2B in viral replication and screening for inhibitors against ZIKV. | en_US |
| Affilliation | Universidade Federal do Rio de Janeiro. Centro de Ciências da Saúde. Instituto de Bioquímica Médica Leopoldo de Meis. Rio de Janeiro, RJ, Brasil / Universidade Federal do Rio de Janeiro. Centro de Ciências da Saúde. Centro Nacional de Biologia Estrutural e Bioimagem. Unidade de Biologia Estrutural. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil. | |
| Affilliation | Fundação Oswaldo Cruz. Instituto Oswaldo Cruz. Laboratório de Toxinologia. Rio de Janeiro, RJ, Brasil. | |
| Affilliation | Universidade Federal do Rio de Janeiro. Centro de Ciências Matemáticas e da Natureza. Instituto de Química. Rio de Janeiro, RJ, Brasil. | |
| Affilliation | Universidade Federal do Rio de Janeiro. Centro de Ciências da Saúde. Instituto de Bioquímica Médica Leopoldo de Meis. Rio de Janeiro, RJ, Brasil / Universidade Federal do Rio de Janeiro. Centro de Ciências da Saúde. Centro Nacional de Biologia Estrutural e Bioimagem. Unidade de Biologia Estrutural. Centro Nacional de Ressonância Magnética Nuclear Jiri Jonas. Rio de Janeiro, RJ, Brasil. | |
| Subject | Zika virus (ZIKV) | en_US |
| Subject | NS2B | en_US |
| Subject | Nuclear magnetic resonance (NMR) | en_US |
| Subject | RosettaMP | en_US |
| Subject | Protein structure | en_US |
| Subject | Protein dynamic | en_US |
| e-ISSN | 1879-0003 | |
| xmlui.metadata.dc.subject.ods | 03 Saúde e Bem-Estar | |
| xmlui.metadata.dc.subject.ods | 09 Indústria, inovação e infraestrutura | |
| xmlui.metadata.dc.subject.ods | 17 Parcerias e meios de implementação | |
