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Evaluation of in silico tools for RNA secondary structures determination, using the Hepatitis C Virus IRES sequence as a model

机译:使用丙型肝炎病毒IRES序列作为模型评估用于RNA二级结构测定的计算机工具的评估

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The Ribonucleic acid (RNA) is a key molecule in different cellular processes, including catalysis. These functions depend not only on nucleotide sequences but also of RNA secondary structure (2D) [1]; this is the case of the extensively characterized IRES structure (Internal Ribosome Entry Site) in Hepatitis C Virus (HCV) RNA [2]. Although experimental techniques are available for studying molecular conformation and folding, their high cost limits a more extended use, therefore bioinformatics programs are currently used for RNA 2D prediction. How dissimilar methods are used in most available in silico tools [3–7] we evaluated the accuracy of five programs for RNA secondary structure prediction, using a HCV IRES domain II as a model [8]. Among assessed tools, MATLAB v7.10.0™ did not generate the expected shape for HCV domain II, resulting in the lowest Sensitivity (S) and Predictive Positive (PPV) values, while RNAShape 2.1.6, RNAstructure v 5.4 and Assemble 1.0.4 predicted the same topology, failing in pairings C19/G62 and G24/A56. Finally, Assemble 2.0 predicted the most acceptable topology of domain II, with the highest S and PPV values. Conclusion: None of the five programs could totally predict the topology of the structural model used.
机译:核糖核酸(RNA)是包括催化在内的不同细胞过程中的关键分子。这些功能不仅取决于核苷酸序列,还取决于RNA二级结构(2D)[1]。丙型肝炎病毒(HCV)RNA中广泛表征的IRES结构(内部核糖体进入位点)就是这种情况[2]。尽管实验技术可用于研究分子构象和折叠,但其高昂的成本限制了其更广泛的用途,因此,目前将生物信息学程序用于RNA 2D预测。在大多数硅计算机工具中如何使用不同的方法[3-7],我们以HCV IRES结构域II作为模型,评估了五个用于RNA二级结构预测的程序的准确性[8]。在经过评估的工具中,MATLAB v7.10.0™不能为HCV域II生成预期的形状,从而导致最低的灵敏度(S)和预测性阳性(PPV)值,而RNAShape 2.1.6,RNAstructure v 5.4和Assemble 1.0.4预测相同的拓扑,但配对C19 / G62和G24 / A56失败。最后,Assemble 2.0预测了具有最高S和PPV值的域II的最可接受拓扑。结论:这五个程序都不能完全预测所用结构模型的拓扑。

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