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Computational prediction of antifungal peptides via Chou's PseAAC and SVM

机译:Chou's Seaac和SVM对抗真菌肽的计算预测

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摘要

With the increase in immunocompromised patients in the recent years, fungal infections have emerged as new and serious threat in hospitals. This, and the insufficiency of current antifungal therapies alongside their toxic effects on patients, has led to the increased interest in seeking new antifungal peptides. In the present study, we have developed a prediction method for screening of antifungal peptides. For this, we have chosen Chou's pseudo amino acid composition (PseAAC) to translate peptide sequences into numeric values. Thus, the SVM classifier was performed for binomial classification of antifungal peptides. The performance of the classifier was evaluated via ten-fold cross-validation and an independent dataset. For further validation of the model developed, 22 P24-derived peptides were predicted using the classifier and in vitro assays were performed on the three peptides with the highest prediction score. The results showed that the PseAAC [Formula: see text] SVM method is able to predict AFPs with ACC of 94.76%. In vitro results also validate the SEN and SPC of the classifier. The results suggest that the computational approach used in this study is highly efficient for prediction of antifungal peptides, which can save time and money in AFP screening and synthesis of novel peptides.
机译:随着近年来免疫功能性患者的增加,真菌感染已成为医院的新和严重威胁。这方面,目前的抗真菌疗法与其对患者的毒性作用以及寻求新的抗真菌肽的兴趣增加。在本研究中,我们开发了一种筛选抗真菌肽的预测方法。为此,我们选择了Chou的伪氨基酸组合物(PSEAAC)将肽序列转化为数值。因此,对抗真菌肽的二项式分类进行了SVM分类剂。通过十倍交叉验证和独立数据集进行分类器的性能。为了进一步验证所开发的模型,使用分类器预测22p24衍生的肽,并在具有最高预测得分的三种肽上进行体外测定。结果表明,PSEAAC [公式:参见文本] SVM方法能够预测ACC的ACP为94.76%。体外结果也验证了分类器的SEN和SPC。结果表明,该研究中使用的计算方法对于预测抗真菌肽的预测是高效的,这可以节省AFP筛选和新肽的合成中的时间和金钱。

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