Humaira Aziz Sawal, Shagufta Nighat, Tanzeela Safdar, Laiba Anees
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引用次数: 2
摘要
蛋白质建模在药物发现过程中起着至关重要的作用。TANK-binding kinase 1-binding protein 1也被称为适配蛋白(adapter protein),由智人体内存在的TBK1基因编码。见于肺、小肠、白细胞、心脏、胎盘、肌肉、肾脏、胸腺下层和大脑。它有许多蛋白质结合位点,TBK1和IKBKE结合并发挥不同的功能,如免疫调节、抗增殖和抗病毒先天免疫,释放不同类型的干扰素。我们的研究通过不同的生物信息学工具预测了三维(3D)结构的比较模型,这将有助于未来的进一步研究。这些蛋白的反应性和稳定性分别通过ProtParam、Pfam和SOPMA等生物信息学方法进行了物理化学评价,并通过结构域测定和二级结构预测进行了评价。采用Robetta、从头算法、I-TASSER和AlphaFold进行三维结构预测,并使用SAVESv6.0 (PROCHECK)服务器对模型进行验证。最后,利用Robetta软件预测tbk1结合蛋白1的最佳三维结构。在揭示了这种新蛋白的3D结构后,我们得出结论,这种结构将帮助我们找出它在抗病毒先天免疫之外的作用,通过在其3D结构中产生扭转,研究人员将能够检测出这种蛋白质是否与任何疾病有关,因为根据之前的研究,它与任何疾病无关。
Comparative In Silico Analysis and Functional Characterization of TANK-Binding Kinase 1-Binding Protein 1.
Protein modelling plays a vital role in the drug discovery process. TANK-binding kinase 1-binding protein 1 is also called an adapter protein, which is encoded by gene TBK1 present in Homo sapiens. It is found in lungs, small intestine, leukocytes, heart, placenta, muscle, kidney, lower level of thymus, and brain. It has a number of protein-binding sites, to which TBK1 and IKBKE bind and perform different functions as immunomodulatory, antiproliferative, and antiviral innate immunity which release different types of interferons. Our study predicts the comparative model of 3-dimensional (3D) structure through different bioinformatics tools that will be helpful for further studies in future. The reactivity and stability of these proteins were evaluated physicochemically and through domain determination and prediction of secondary structure using bioinformatics methods such as ProtParam, Pfam, and SOPMA, respectively. Robetta, an ab initio approach, I-TASSER, and AlphaFold was used for 3D structure prediction, and the models were validated using the SAVESv6.0 (PROCHECK) server. Conclusively, the best 3D structure of TBK1-binding protein 1 was predicted using Robetta software. After unveiling the 3D structure of the novel protein, we concluded that this structure will help us to find out its role other than in antiviral innate immunity and by producing torsion in its 3D structure researchers will be able to detect either this protein is involved in any disease or not because according to previous studies it was not associated with any disease.
期刊介绍:
Bioinformatics and Biology Insights is an open access, peer-reviewed journal that considers articles on bioinformatics methods and their applications which must pertain to biological insights. All papers should be easily amenable to biologists and as such help bridge the gap between theories and applications.