Malivhu:按分类、科属和物种筛选 SARS 和 MERS 病毒蛋白质并预测其与人类蛋白质相互作用的综合生物信息学资源。

IF 2.3 Q3 BIOCHEMICAL RESEARCH METHODS
Bioinformatics and Biology Insights Pub Date : 2024-08-14 eCollection Date: 2024-01-01 DOI:10.1177/11779322241263671
David Guevara-Barrientos, Rakesh Kaundal
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引用次数: 0

摘要

COVID 19 大流行仍在继续,已经夺走了 600 多万人的生命。因此,有必要开发不同的治疗方法,不仅是疫苗,还有新药。为此,人类与病毒之间的蛋白质相互作用(PPIs)在药物靶点发现中起着关键作用,但通过实验找到这些相互作用可能成本高昂,有时还不可靠。因此,计算方法应运而生,它是预测这些相互作用的有力替代方法,不仅能降低成本,还能帮助研究人员只确认某些相互作用,而不是在实验室中尝试所有可能的组合。Malivhu 是一种利用机器学习模型通过 4 个阶段预测人类-病毒 PPI 的工具,其中第 1 阶段过滤 ssRNA(+)类病毒蛋白,第 2 阶段过滤冠状病毒科蛋白,第 3 阶段过滤严重急性呼吸系统综合征(SARS)和中东呼吸系统综合征(MERS)物种蛋白,第 4 阶段预测人类-SARS-CoV/SARS-CoV-2/MERS 蛋白-蛋白相互作用。前三个阶段的准确率分别为 99.07%、99.83% 和 100%,而在独立测试中,人类-SARS-CoV 蛋白相互作用的准确率为 94.24%,人类-SARS-CoV-2 蛋白相互作用的准确率为 94.50%,人类-MERS 蛋白相互作用的准确率为 95.45%。为 4 个阶段开发的所有预测模型都以网络服务器的形式实现,可在 https://kaabil.net/malivhu/ 免费获取。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Malivhu: A Comprehensive Bioinformatics Resource for Filtering SARS and MERS Virus Proteins by Their Classification, Family and Species, and Prediction of Their Interactions Against Human Proteins.

COVID 19 pandemic is still ongoing, having taken more than 6 million human lives with it, and it seems that the world will have to learn how to live with the virus around. In consequence, there is a need to develop different treatments against it, not only with vaccines, but also new medicines. To do this, human-virus protein-protein interactions (PPIs) play a key part in drug-target discovery, but finding them experimentally can be either costly or sometimes unreliable. Therefore, computational methods arose as a powerful alternative to predict these interactions, reducing costs and helping researchers confirm only certain interactions instead of trying all possible combinations in the laboratory. Malivhu is a tool that predicts human-virus PPIs through a 4-phase process using machine learning models, where phase 1 filters ssRNA(+) class virus proteins, phase 2 filters Coronaviridae family proteins and phase 3 filters severe acute respiratory syndrome (SARS) and Middle East respiratory syndrome (MERS) species proteins, and phase 4 predicts human-SARS-CoV/SARS-CoV-2/MERS protein-protein interactions. The performance of the models was measured with Matthews correlation coefficient, F1-score, specificity, sensitivity, and accuracy scores, getting accuracies of 99.07%, 99.83%, and 100% for the first 3 phases, respectively, and 94.24% for human-SARS-CoV PPI, 94.50% for human-SARS-CoV-2 PPI, and 95.45% for human-MERS PPI on independent testing. All the prediction models developed for each of the 4 phases were implemented as web server which is freely available at https://kaabil.net/malivhu/.

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来源期刊
Bioinformatics and Biology Insights
Bioinformatics and Biology Insights BIOCHEMICAL RESEARCH METHODS-
CiteScore
6.80
自引率
1.70%
发文量
36
审稿时长
8 weeks
期刊介绍: Bioinformatics and Biology Insights is an open access, peer-reviewed journal that considers articles on bioinformatics methods and their applications which must pertain to biological insights. All papers should be easily amenable to biologists and as such help bridge the gap between theories and applications.
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