دورية أكاديمية
In Silico Analysis of SARS-CoV-2 Non-Structural Proteins Reveals an Interaction with the Host’s Heat Shock Proteins That May Contribute to Viral Replications and Development
| العنوان: | In Silico Analysis of SARS-CoV-2 Non-Structural Proteins Reveals an Interaction with the Host’s Heat Shock Proteins That May Contribute to Viral Replications and Development |
|---|---|
| المؤلفون: | Mthembu Yamkela, Zingisa Sitobo, Xolani H. Makhoba |
| المصدر: | Current Issues in Molecular Biology, Vol 45, Iss 12, Pp 10225-10247 (2023) |
| بيانات النشر: | MDPI AG, 2023. |
| سنة النشر: | 2023 |
| المجموعة: | LCC:Biology (General) |
| مصطلحات موضوعية: | SARS-CoV-2, NSP2, polyamines, heat shock proteins, COVID-19, AdoMetDC, Biology (General), QH301-705.5 |
| الوصف: | The non-structural protein 2 (NSP2) is an RNA-binding protein involved in coronavirus genome replication, and it often decreases human immune response to promote viral invasion and development. It is believed that the NSP2 associates itself with polyamines and heat shock proteins inside the host cell to proceed with viral development. This study aimed to investigate how the SARS-CoV-2 virus’ key non-structural proteins (NSP2) utilize polyamines and heat shock proteins using a molecular docking approach and molecular dynamics (MD). ClusPro and HADDOCK servers were used for the docking and Discovery Studio, chimera, and PyMOL were used for analysis. Docking of the heat shock proteins 40 (HSP40), 70 (HSP70), and 90 (HSP90) with SARS-CoV-2 NSP2 resulted in 32, 28, and 19 interactions, respectively. Molecular dynamics revealed Arg458, Asn508, Met297, Arg301, and Trp417 as active residues, and pharmacophore modeling indicated ZINC395648, ZINC01150525, and ZINC85324008 from the zinc database as possible inhibitors for this NSP2. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 1467-3045 1467-3037 |
| Relation: | https://www.mdpi.com/1467-3045/45/12/638; https://doaj.org/toc/1467-3037; https://doaj.org/toc/1467-3045 |
| DOI: | 10.3390/cimb45120638 |
| URL الوصول: | https://doaj.org/article/e7df205e6b334d52bf0d1378d9dbea72 |
| رقم الأكسشن: | edsdoj.7df205e6b334d52bf0d1378d9dbea72 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 14673045 14673037 |
|---|---|
| DOI: | 10.3390/cimb45120638 |