Cellular and Molecular Endocrine Research Center, Research Institute for Endocrine Sciences, Shahid Beheshti University of Medical Sciences, Tehran, Iran.
Department of Computer Technologies, Beykent University, Istanbul, Turkey; Department of Computer Engineering, Faculty of Electrical and Electronics, Yildiz Technical University, Istanbul, Turkey.
Comput Biol Med. 2021 Aug;135:104611. doi: 10.1016/j.compbiomed.2021.104611. Epub 2021 Jul 2.
RNA-protein interactions of a virus play a major role in the replication of RNA viruses. The replication and transcription of these viruses take place in the cytoplasm of the host cell; hence, there is a probability for the host RNA-viral protein and viral RNA-host protein interactions. The current study applies a high-throughput computational approach, including feature extraction and machine learning methods, to predict the affinity of protein sequences of ten viruses to three categories of RNA sequences. These categories include RNAs involved in the protein-RNA complexes stored in the RCSB database, the human miRNAs deposited at the mirBase database, and the lncRNA deposited in the LNCipedia database. The results show that evolution not only tries to conserve key viral proteins involved in the replication and transcription but also prunes their interaction capability. These proteins with specific interactions do not perturb the host cell through undesired interactions. On the other hand, the hypermutation rate of NSP3 is related to its affinity to host cell RNAs. The Gene Ontology (GO) analysis of the miRNA with affiliation to NSP3 suggests that these miRNAs show strongly significantly enriched GO terms related to the known symptoms of COVID-19. Docking and MD simulation study of the obtained miRNA through high-throughput analysis suggest a non-coding RNA (an RNA antitoxin, ToxI) as a natural aptamer drug candidate for NSP5 inhibition. Finally, a significant interplay of the host RNA-viral protein in the host cell can disrupt the host cell's system by influencing the RNA-dependent processes of the host cells, such as a differential expression in RNA. Furthermore, our results are useful to identify the side effects of mRNA-based vaccines, many of which are caused by the off-label interactions with the human lncRNAs.
病毒的 RNA-蛋白相互作用在 RNA 病毒的复制中起着主要作用。这些病毒的复制和转录发生在宿主细胞的细胞质中;因此,宿主 RNA-病毒蛋白和病毒 RNA-宿主蛋白相互作用的可能性是存在的。本研究应用高通量计算方法,包括特征提取和机器学习方法,来预测十种病毒的蛋白质序列与三类 RNA 序列的亲和力。这三类 RNA 包括储存在 RCSB 数据库中的与蛋白质 RNA 复合物相关的 RNA、存储在 mirBase 数据库中的人类 miRNA 和存储在 LNCipedia 数据库中的 lncRNA。研究结果表明,进化不仅试图保守参与复制和转录的关键病毒蛋白,而且还修剪它们的相互作用能力。这些具有特定相互作用的蛋白质不会通过不希望的相互作用干扰宿主细胞。另一方面,NSP3 的高突变率与其与宿主细胞 RNA 的亲和力有关。与 NSP3 相关的 miRNA 的基因本体论(GO)分析表明,这些 miRNA 表现出与 COVID-19 已知症状强烈显著富集的 GO 术语。通过高通量分析获得的 miRNA 的对接和 MD 模拟研究表明,一种非编码 RNA(一种 RNA 抗毒素,ToxI)作为 NSP5 抑制的天然适体药物候选物。最后,宿主细胞中宿主 RNA-病毒蛋白的显著相互作用可以通过影响宿主细胞的 RNA 依赖性过程,如 RNA 的差异表达,从而破坏宿主细胞的系统。此外,我们的研究结果有助于识别基于 mRNA 的疫苗的副作用,其中许多副作用是由与人类 lncRNA 的非标签相互作用引起的。