新冠病毒ACE2同源性建模及突变预测

Purnawan Pontana Putra, A. Fauzana, Khairunnisa Assyifa Salva, M. Sofiana, Intan Permata Sari, H. Lucida
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引用次数: 0

摘要

SARS-CoV-2已成为全球大流行。这种病毒与血管紧张素转换酶2 (ACE2)受体结合,产生新冠肺炎的病理,这种受体存在于肺等上皮细胞中。分析ACE2的特征对了解该病的发展和研究潜在的新药至关重要。该分析使用计算机模拟来加快蛋白质分析,利用人工智能技术、数据库和大数据。同源性建模是一种显示蛋白质家族同源性的方法,因此建立了建模蛋白质序列的模型和排列。本研究旨在通过进行突变预测来确定ACE2突变的可能性。结果表明,GA341、MPQS、Z-DOPE、TSVMod NO35的评分均为1,同源建模可靠;1.28252;-0.47;和0.793。此外,基因本体(Gene Ontology, GO)分析表明ACE2在细胞中具有分子转运功能,而SIFT和PROVEAN分析均未发现ACE2发生突变。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Homology modeling and mutation prediction of ACE2 from COVID-19
SARS-CoV-2 has become a pandemic in the world. The virus binds to the Angiotensin-Converting Enzyme 2 (ACE2) receptor, which is found in epithelial cells such as in the lungs, to generate the pathology of COVID-19. It is essential to analyze the characteristics of ACE2 in understanding the development of the disease and study potential new drugs. The analysis was carried out using computer simulations to speed up protein analysis that utilized Artificial Intelligence technology, databases, and big data. Homology modeling is a method to exhibit homologous of protein families, hence the model and arrangement of protein sequences modeled are established. This research aims to determine the possibility of mutations in ACE2 by performing the mutation prediction. The result shows reliable homologous modeling with the score of GA341, MPQS, Z-DOPE, and TSVMod NO35 were 1; 1.28252; -0.47; and 0.793, respectively. Moreover, Gene Ontology (GO) analysis describes that ACE2 has a molecular transport function in cells while there are no mutations found occurred in ACE2 analyzed using SIFT and PROVEAN.
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