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通过计算方法预测新型冠状病毒肺炎的病毒-宿主相互作用

Prediction of viral-host interactions of COVID-19 by computational methods.

作者信息

Alakus Talha Burak, Turkoglu Ibrahim

机构信息

Kirklareli University, Department of Software Engineering, Kirklareli, 39000, Turkey.

Firat University, Department of Software Engineering, Elazig, 23119, Turkey.

出版信息

Chemometr Intell Lab Syst. 2022 Sep 15;228:104622. doi: 10.1016/j.chemolab.2022.104622. Epub 2022 Jul 21.

Abstract

Experimental approaches are currently used to determine viral-host interactions, but these approaches are both time-consuming and costly. For these reasons, computational-based approaches are recommended. In this study, using computational-based approaches, viral-host interactions of SARS-CoV-2 virus and human proteins were predicted. The study consists of four different stages; in the first stage viral and host protein sequences were obtained. In the second stage, protein sequences were converted into numerical expressions by various protein mapping methods. These methods are entropy-based, AVL-tree, FIBHASH, binary encoding, CPNR, PAM250, BLOSUM62, Atchley factors, Meiler parameters, EIIP, AESNN1, Miyazawa energies, Micheletti potentials, Z-scale, and hydrophobicity. In the third stage, a deep learning model was designed and BiLSTM was used for this. In the last stage, the protein sequences were classified, and the viral-host interactions were predicted. The performances of protein mapping methods were determined by accuracy, F1-score, specificity, sensitivity, and AUC scores. According to the classification results, the best classification process was obtained by the entropy-based method. With this method, 94.74% accuracy, and 0.95 AUC score were calculated. Then, the most successful classification process was performed with the Z-scale and 91.23% accuracy, and 0.96 AUC score were obtained. Although other protein mapping methods are not as efficient as Z-scale and entropy-based methods, they have achieved successful classification. AVL-tree, FIBHASH, binary encoding, CPNR, PAM250, BLOSUM62, Atchley factors, Meiler parameters and AESNN1 methods showed over 80% accuracy, F1-score, and AUC score. Accuracy scores of EIIP, Miyazawa energies, Micheletti potentials and hydrophobicity methods remained below 80%. When the results were examined in general, it was observed that the computational approaches were successful in predicting viral-host interactions between SARS-CoV-2 virus and human proteins.

摘要

目前采用实验方法来确定病毒与宿主之间的相互作用,但这些方法既耗时又昂贵。基于这些原因,推荐使用基于计算的方法。在本研究中,使用基于计算的方法预测了严重急性呼吸综合征冠状病毒2(SARS-CoV-2)病毒与人类蛋白质之间的病毒-宿主相互作用。该研究包括四个不同阶段;在第一阶段,获取病毒和宿主蛋白质序列。在第二阶段,通过各种蛋白质映射方法将蛋白质序列转换为数值表达式。这些方法包括基于熵的方法、AVL树、FIBHASH、二进制编码、CPNR、PAM250、BLOSUM62、阿奇利因子、梅勒参数、电子等排指数、AESNN1、宫泽能量、米凯莱蒂势、Z尺度和疏水性。在第三阶段,设计了一个深度学习模型,并使用双向长短期记忆网络(BiLSTM)来实现。在最后阶段,对蛋白质序列进行分类,并预测病毒-宿主相互作用。通过准确率、F1分数、特异性、敏感性和曲线下面积(AUC)分数来确定蛋白质映射方法的性能。根据分类结果,基于熵的方法获得了最佳分类过程。使用该方法计算出准确率为94.74%,AUC分数为0.95。然后,使用Z尺度进行了最成功的分类过程,获得了91.23%的准确率和0.96的AUC分数。虽然其他蛋白质映射方法不如Z尺度和基于熵的方法有效,但它们也实现了成功分类。AVL树、FIBHASH、二进制编码、CPNR、PAM250、BLOSUM62、阿奇利因子、梅勒参数和AESNN1方法的准确率、F1分数和AUC分数均超过80%。电子等排指数、宫泽能量、米凯莱蒂势和疏水性方法的准确率分数低于80%。总体检查结果时发现,基于计算的方法成功预测了SARS-CoV-2病毒与人类蛋白质之间的病毒-宿主相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ece6/9301933/2398341aba86/gr1_lrg.jpg

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