دورية أكاديمية
أعرض في EDS

Emerging mutations in envelope protein of SARS-CoV-2 and their effect on thermodynamic properties.

التفاصيل البيبلوغرافية
العنوان: Emerging mutations in envelope protein of SARS-CoV-2 and their effect on thermodynamic properties.
المؤلفون: Mou K; Department of Neurosurgery, Bishan Hospital of Chongqing, Chongqing, China., Abdalla M; Key Laboratory of Chemical Biology (Ministry of Education), Department of Pharmaceutics, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 Cultural West Road, Shandong Province, 250012, PR China., Wei DQ; State Key Laboratory of Microbial Metabolism, Shanghai-Islamabad-Belgrade Joint Innovation Center on Antibacterial Resistances, Joint International Research Laboratory of Metabolic & Developmental Sciences and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, 200030, PR China.; Peng Cheng Laboratory, Vanke Cloud City Phase I Building 8, Xili Street, Nashan District, Shenzhen, Guangdong, 518055, PR China., Khan MT; Institute of Molecular Biology and Biotechnology (IMBB), The University of Lahore, KM Defence Road, Lahore, Pakistan, 58810., Lodhi MS; Institute of Molecular Biology and Biotechnology (IMBB), The University of Lahore, KM Defence Road, Lahore, Pakistan, 58810., Darwish DB; Department of Biology, Faculty of Science, University of Tabuk, 71491, Saudi Arabia., Sharaf M; Department of Biochemistry and Molecular Biology, College of Marine Life Sciences, Ocean University of China, Qingdao, 266003, PR China.; Department of Biochemistry, Faculty of Agriculture, AL-Azhar University, Nasr City, Cairo, 11751, Egypt., Tu X; Chongqing Medical and Pharmaceutical College, Chongqing, China.
المصدر: Informatics in medicine unlocked [Inform Med Unlocked] 2021; Vol. 25, pp. 100675. Date of Electronic Publication: 2021 Jul 27.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Elsevier Ltd Country of Publication: England NLM ID: 101718051 Publication Model: Print-Electronic Cited Medium: Print ISSN: 2352-9148 (Print) Linking ISSN: 23529148 NLM ISO Abbreviation: Inform Med Unlocked Subsets: PubMed not MEDLINE
أسماء مطبوعة: Original Publication: [London] : Elsevier Ltd., [2015]-
مستخلص: Structural proteins of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) are potential drug targets due to their role in the virus life cycle. The envelope (E) protein is one of the structural proteins; plays a critical role in virulency. However, the emergence of mutations oftenly leads to drug resistance and may also play a vital role in virus stabilization and evolution. In this study, we aimed to identify mutations in E proteins that affect the protein stability. About 0.3 million complete whole genome sequences were analyzed to screen mutations in E protein. All these mutations were subjected to stability prediction using the DynaMut server. The most common mutations that were detected at the C-terminal domain, Ser68Phe, Pro71Ser, and Leu73Phe, were examined through molecular dynamics (MD) simulations for a 100ns period. The sequence analysis shows the existence of 259 mutations in E protein. Interestingly, 16 of them were detected in the DFLV amino acid (aa) motif (aa72-aa75) that binds the host PALS1 protein. The results of root mean square deviation, fluctuations, radius of gyration, and free energy landscape show that Ser68Phe, Pro71Ser, and Leu73Phe are exhibiting a more stabilizing effect. However, a more comprehensive experimental study may be required to see the effect on virus pathogenicity. Potential antiviral drugs, and vaccines may be developed used after screening the genomic variations for better management of SARS-CoV-2 infections.
Competing Interests: All the authors have no competing interests.
(© 2021 The Authors.)
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فهرسة مساهمة: Keywords: Antiviral drugs; Envelope; Genome; Mutations; SARS-CoV-2; Stability
تواريخ الأحداث: Date Created: 20210802 Latest Revision: 20221221
رمز التحديث: 20221221
مُعرف محوري في PubMed: PMC8314890
DOI: 10.1016/j.imu.2021.100675
PMID: 34337139
قاعدة البيانات: MEDLINE
الوصف
تدمد:2352-9148
DOI:10.1016/j.imu.2021.100675