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基于表位的克里米亚-刚果出血热病毒核衣壳蛋白和卵巢肿瘤结构域的免疫信息学及分子对接研究

Epitope-based immunoinformatics and molecular docking studies of nucleocapsid protein and ovarian tumor domain of crimean-congo hemorrhagic Fever virus.

作者信息

Srinivasan Pappu, Kumar Sivakumar Prasanth, Karthikeyan Muthusamy, Jeyakanthan Jeyaram, Jasrai Yogesh T, Pandya Himanshu A, Rawal Rakesh M, Patel Saumya K

机构信息

Department of Bioinformatics, Alagappa University, Karaikudi Tamil Nadu, India.

出版信息

Front Genet. 2011 Nov 2;2:72. doi: 10.3389/fgene.2011.00072. eCollection 2011.

Abstract

Crimean-Congo hemorrhagic fever virus (CCHFV), the fatal human pathogen is transmitted to humans by tick bite, or exposure to infected blood or tissues of infected livestock. The CCHFV genome consists of three RNA segments namely, S, M, and L. The unusual large viral L protein has an ovarian tumor (OTU) protease domain located in the N terminus. It is likely that the protein may be autoproteolytically cleaved to generate the active virus L polymerase with additional functions. Identification of the epitope regions of the virus is important for the diagnosis, phylogeny studies, and drug discovery. Early diagnosis and treatment of CCHF infection is critical to the survival of patients and the control of the disease. In this study, we undertook different in silico approaches using molecular docking and immunoinformatics tools to predict epitopes which can be helpful for vaccine designing. Small molecule ligands against OTU domain and protein-protein interaction between a viral and a host protein have been studied using docking tools.

摘要

克里米亚-刚果出血热病毒(CCHFV)是一种致命的人类病原体,通过蜱虫叮咬或接触受感染家畜的血液或组织传播给人类。CCHFV基因组由三个RNA片段组成,即S、M和L。异常大的病毒L蛋白在N端有一个卵巢肿瘤(OTU)蛋白酶结构域。该蛋白可能会进行自身蛋白水解切割,以产生具有额外功能的活性病毒L聚合酶。鉴定病毒的表位区域对于诊断、系统发育研究和药物发现很重要。CCHF感染的早期诊断和治疗对于患者的生存和疾病控制至关重要。在本研究中,我们采用了不同的计算机模拟方法,使用分子对接和免疫信息学工具来预测表位,这有助于疫苗设计。已经使用对接工具研究了针对OTU结构域的小分子配体以及病毒与宿主蛋白之间的蛋白质-蛋白质相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6925/3268625/865715717811/fgene-02-00072-g001.jpg

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