Li Yu-Xin, Shao Yuan-Hai, Jing Ling, Deng Nai-Yang
College of Science, China Agricultural University, Beijing 100083, China.
Protein Pept Lett. 2011 Jun;18(6):573-87. doi: 10.2174/092986611795222731.
Protein S-nitrosylation plays a key and specific role in many cellular processes. Detecting possible S-nitrosylated substrates and their corresponding exact sites is crucial for studying the mechanisms of these biological processes. Comparing with the expensive and time-consuming biochemical experiments, the computational methods are attracting considerable attention due to their convenience and fast speed. Although some computational models have been developed to predict S-nitrosylation sites, their accuracy is still low. In this work,we incorporate support vector machine to predict protein S-nitrosylation sites. After a careful evaluation of six encoding schemes, we propose a new efficient predictor, CPR-SNO, using the coupling patterns based encoding scheme. The performance of our CPR-SNO is measured with the area under the ROC curve (AUC) of 0.8289 in 10-fold cross validation experiments, which is significantly better than the existing best method GPS-SNO 1.0's 0.685 performance. In further annotating large-scale potential S-nitrosylated substrates, CPR-SNO also presents an encouraging predictive performance. These results indicate that CPR-SNO can be used as a competitive protein S-nitrosylation sites predictor to the biological community. Our CPR-SNO has been implemented as a web server and is available at http://math.cau.edu.cn/CPR -SNO/CPR-SNO.html.
蛋白质S-亚硝基化在许多细胞过程中发挥着关键且特定的作用。检测可能的S-亚硝基化底物及其相应的确切位点对于研究这些生物学过程的机制至关重要。与昂贵且耗时的生化实验相比,计算方法因其便利性和快速性而备受关注。尽管已经开发了一些计算模型来预测S-亚硝基化位点,但其准确性仍然较低。在这项工作中,我们引入支持向量机来预测蛋白质S-亚硝基化位点。在对六种编码方案进行仔细评估后,我们提出了一种新的高效预测器CPR-SNO,它使用基于耦合模式的编码方案。在10折交叉验证实验中,我们的CPR-SNO的性能通过ROC曲线下面积(AUC)衡量为0.8289,这明显优于现有最佳方法GPS-SNO 1.0的0.685性能。在进一步注释大规模潜在的S-亚硝基化底物时,CPR-SNO也呈现出令人鼓舞的预测性能。这些结果表明,CPR-SNO可以作为一种有竞争力的蛋白质S-亚硝基化位点预测器供生物学界使用。我们的CPR-SNO已作为一个网络服务器实现,可在http://math.cau.edu.cn/CPR -SNO/CPR-SNO.html上获取。