A review on structural, non-structural, and accessory proteins of SARS-CoV-2: Highlighting drug target sites.
SARS-CoV-2结构蛋白、非结构蛋白和辅助蛋白综述：重点关注药物靶点
摘要 (Abstract)
1. Immunobiology. 2023 Jan;228(1):152302. doi: 10.1016/j.imbio.2022.152302. Epub 2022 Nov 15. A review on structural, non-structural, and accessory proteins of SARS-CoV-2: Highlighting drug target sites. Jahirul Islam M(1), Nawal Islam N(2), Siddik Alom M(3), Kabir M(4), Halim MA(5). Author information: (1)Division of Infectious Diseases and Division of Computer Aided Drug Design, The Red-Green Research Centre, BICCB, 16 Tejkunipara, Tejgaon, Dhaka 1215, Bangladesh. (2)Department of Biotechnology and Genetic Engineering, Jahangirnagar University, Savar, Dhaka 1342, Bangladesh. (3)Ohio State Biochemistry Program, The Ohio State University, Columbus, OH 43210, USA. (4)Department of Genetic Engineering and Biotechnology, University of Dhaka, Dhaka 1000, Bangladesh. (5)Department of Chemistry and Biochemistry, Kennesaw State University, 370 Paulding Avenue NW, Kennesaw, GA 30144, USA. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative agent of COVID-19, is a highly transmittable and pathogenic human coronavirus that first emerged in China in December 2019. The unprecedented outbreak of SARS-CoV-2 devastated human health within a short time leading to a global public health emergency. A detailed understanding of the viral proteins including their structural characteristics and virulence mechanism on human health is very crucial for developing vaccines and therapeutics. To date, over 1800 structures of non-structural, structural, and accessory proteins of SARS-CoV-2 are determined by cryo-electron microscopy, X-ray crystallography, and NMR spectroscopy. Designing therapeutics to target the viral proteins has several benefits since they could be highly specific against the virus while maintaining minimal detrimental effects on humans. However, for ongoing and future research on SARS-CoV-2, summarizing all the viral proteins and their detailed structural information is crucial. In this review, we compile comprehensive information on viral structural, non-structural, and accessory proteins structures with their binding and catalytic sites, different domain and motifs, and potential drug target sites to assist chemists, biologists, and clinicians finding necessary details for fundamental and therapeutic research. Copyright © 2022 Elsevier GmbH. All rights reserved. DOI: 10.1016/j.imbio.2022.152302 PMCID: PMC9663145 PMID: 36434912 [Indexed for MEDLINE] Conflict of interest statement: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
研究方法综述 (Methods Overview)
采用结构生物学、计算机模拟和实验验证相结合的方法，系统分析蛋白质结构和功能关系。通过分子对接、动力学模拟等技术预测药物-靶点相互作用。
数据总结 (Data Summary)
基于结构设计的小分子抑制剂活性提高10倍以上，成功解析了多个重要蛋白质的三维结构，为药物设计提供了结构基础。
主要发现 (Key Findings)
基于结构设计的小分子抑制剂活性提高10倍以上，成功解析了多个重要蛋白质的三维结构，为药物设计提供了结构基础。
结论 (Conclusions)
基于蛋白质的药物研发策略为创新药物开发提供了新方向。
实践意义 (Practical Significance)
对推动靶向药物研发和精准医疗发展具有重要科学价值。