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Recognition of Protein Pupylation Sites by Adopting Resampling Approach

机译:采用重采样法识别蛋白的化脓位点

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摘要

With the in-depth study of posttranslational modification sites, protein ubiquitination has become the key problem to study the molecular mechanism of posttranslational modification. Pupylation is a widely used process in which a prokaryotic ubiquitin-like protein (Pup) is attached to a substrate through a series of biochemical reactions. However, the experimental methods of identifying pupylation sites is often time-consuming and laborious. This study aims to propose an improved approach for predicting pupylation sites. Firstly, the Pearson correlation coefficient was used to reflect the correlation among different amino acid pairs calculated by the frequency of each amino acid. Then according to a descending ranked order, the multiple types of features were filtered separately by values of Pearson correlation coefficient. Thirdly, to get a qualified balanced dataset, the K-means principal component analysis (KPCA) oversampling technique was employed to synthesize new positive samples and Fuzzy undersampling method was employed to reduce the number of negative samples. Finally, the performance of our method was verified by means of jackknife and a 10-fold cross-validation test. The average results of 10-fold cross-validation showed that the sensitivity (Sn) was 90.53%, specificity (Sp) was 99.8%, accuracy (Acc) was 95.09%, and Matthews Correlation Coefficient (MCC) was 0.91. Moreover, an independent test dataset was used to further measure its performance, and the prediction results achieved the Acc of 83.75%, MCC of 0.49, which was superior to previous predictors. The better performance and stability of our proposed method showed it is an effective way to predict pupylation sites.
机译:随着对翻译后修饰位点的深入研究,蛋白质泛素化已成为研究翻译后修饰分子机制的关键问题。 Pupylation是一种广泛使用的过程,其中原核泛素样蛋白(Pup)通过一系列生化反应附着在基质上。但是,鉴定酰化位点的实验方法通常是耗时且费力的。这项研究旨在提出一种预测脓毒化位点的改进方法。首先,皮尔逊相关系数被用来反映通过每个氨基酸的频率计算出的不同氨基酸对之间的相关性。然后根据降序排列,通过皮尔逊相关系数的值分别过滤多种类型的特征。第三,为了获得合格的平衡数据集,采用K-均值主成分分析(KPCA)过采样技术来合成新的正样本,并使用Fuzzy欠采样法来减少负样本的数量。最后,通过折刀和10倍交叉验证测试验证了我们方法的性能。 10倍交叉验证的平均结果显示,灵敏度(Sn)为90.53%,特异性(Sp)为99.8%,准确性(Acc)为95.09%,马修斯相关系数(MCC)为0.91。此外,使用独立的测试数据集进一步衡量其性能,预测结果达到了83.75%的Acc,MCC为0.49,优于先前的预测指标。我们提出的方法具有更好的性能和稳定性,表明它是预测predict酰化位点的有效方法。

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