Suppr超能文献

利用计算机模拟方法从植物化学物质中寻找针对克里米亚刚果出血热病毒核蛋白的潜在抑制剂。

Finding potential inhibitors from phytochemicals against nucleoprotein of crimean congo fever virus using in silico approach.

作者信息

Ramzan Muhammad, Mahmood Sajid, Amjad Adnan, Javed Mohsin, Zidan Ammar, Bahadur Ali, Iqbal Shahid, Saad Muhammad, Zaka Namrah, Khurshid Shazia, Awwad Nasser S, Ibrahium Hala A, Akhter Toheed

机构信息

Department of Chemistry, School of Science, University of Management and Technology, Lahore, 54770, Pakistan.

Nottingham Ningbo China Beacons of Excellence Research and Innovation Institute, University of Nottingham Ningbo China, Ningbo, 315100, China.

出版信息

Sci Rep. 2024 Dec 30;14(1):31804. doi: 10.1038/s41598-024-82312-y.

Abstract

The Crimean Congo virus has been reported to be a part of the spherical RNA-enveloped viruses from the Bunyaviridae family. Crimean Congo fever (CCHF) is a fatal disease with having fatality rate of up to 40%. It is declared endemic by the World Health Organization. Many outbreaks of CCHF have been reported over the years. Former studies on CCHF have reported that the nucleoprotein of CCHF, being a pivotal protein in the replication process of the virus, is a potential target for antiviral drugs. However, there is no specific drug that can be used to treat this fatal disease and laboratory testing is prohibited due to its pathogen level 4. This study aims to find a possible potential inhibitor of the nucleoprotein of CCHFV using modern techniques leading ultimately to the development of effective and natural drugs. In this study, a virtual screening procedure involving a docking process followed by the Molecular Dynamics method is used to find out the potential inhibitors of the nucleoprotein of CCHFV. Phytochemicals having pharmacological properties and approved by the Food and Drug Administration are docked over the nucleoprotein of CCHFV. The study signifies the use of Withanolide E as a drug for the treatment of CCHFV as the study depicts the potential of Withanolide E to inhibit the nucleoprotein of CCHFV using reliable and modern techniques.

摘要

据报道,克里米亚刚果病毒是布尼亚病毒科球形RNA包膜病毒的一部分。克里米亚刚果出血热(CCHF)是一种致命疾病,死亡率高达40%。世界卫生组织宣布其为地方病。多年来已报告多次CCHF疫情。以前关于CCHF的研究报告称,CCHF的核蛋白是病毒复制过程中的关键蛋白,是抗病毒药物的潜在靶点。然而,没有可用于治疗这种致命疾病的特定药物,并且由于其病原体为4级,实验室检测被禁止。本研究旨在使用现代技术找到CCHFV核蛋白可能的潜在抑制剂,最终开发出有效且天然的药物。在本研究中,采用了一种虚拟筛选程序,该程序包括对接过程,随后是分子动力学方法,以找出CCHFV核蛋白的潜在抑制剂。具有药理特性且经美国食品药品监督管理局批准的植物化学物质与CCHFV的核蛋白进行对接。该研究表明,Withanolide E可作为治疗CCHFV的药物,因为该研究使用可靠的现代技术描述了Withanolide E抑制CCHFV核蛋白的潜力。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/abb4/11685418/416927bb8f6d/41598_2024_82312_Fig1_HTML.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验