Bioinformatics-based Analysis of the Variability of MPOX Virus Proteins

IF 1.2 4区医学 Q4 CHEMISTRY, MEDICINAL

Letters in Drug Design & Discovery Pub Date : 2023-11-08 DOI:10.2174/0115701808260478231023080842

Carlos Polanco, Alberto Huberman, Enrique Hernandez Lemus, Vladimir N. Uversky, Martha Rios Castro, Mireya Martinez Garcia, Gilberto Vargas-Alarcon, Thomas Buhse, Claudia Pimentel Hernández, Cecilia Zazueta, Francisco J. Roldan Gomez, Erika Jeannette López Oliva

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Abstract

Background:: Previously restricted to remote areas of Central and Western Africa, the MPOX virus-based disease, also known as monkeypox, has now spread to more than 90 countries and has become endemic. As a consequence, the MPOX virus has become a global public health concern. Objective:: The objective of this study was to conduct a computational-multiparametric study (at the genomic and proteomic levels) of the biological sequences that express the MPOX virus envelopes in order to fathom the physicochemical regularities of these proteins. objective: To carry out a computational multiparametric analysis of the amino acid sequences of proteins expressed by the MPOX virus genes to better understand the physicochemical regularities of these proteins Methods:: Using computer programs, we determined the polarity index method (PIM) profile and protein intrinsic disorder predisposition (PIDP) for each studied protein. Results:: The UniProt database was able to identify sequences similar to those of the MPOX virus expressed thanks to the computational regularities found in the virus' envelope sequences. Conclusion:: The polarity index method and protein intrinsic disorder predisposition profiles could aid in elucidating the sequence-level structural regularities of the MPOX virus envelopes.

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基于生物信息学的m痘病毒蛋白变异分析

背景:以前仅限于中非和西非偏远地区的以MPOX病毒为基础的疾病，也称为猴痘，现在已蔓延到90多个国家，并已成为地方病。因此，MPOX病毒已成为一个全球公共卫生问题。目的:本研究的目的是对表达MPOX病毒包膜的生物序列进行计算-多参数研究(在基因组和蛋白质组学水平上)，以了解这些蛋白质的物理化学规律。目的:对m痘病毒基因表达蛋白的氨基酸序列进行计算多参数分析，以更好地了解这些蛋白的理化规律。方法:利用计算机程序确定所研究蛋白的极性指数法(PIM)谱图和蛋白内在失调易感性(PIDP)。结果:由于病毒包膜序列的计算规律，UniProt数据库能够识别出与MPOX病毒相似的序列。结论:极性指数法和蛋白质内在紊乱易感谱有助于阐明m痘病毒包膜的序列水平结构规律。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Letters in Drug Design & Discovery 医学-医药化学

CiteScore

1.80

自引率

10.00%

发文量

245

审稿时长

3 months

期刊介绍： Aims & Scope Letters in Drug Design & Discovery publishes letters, mini-reviews, highlights and guest edited thematic issues in all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The emphasis is on publishing quality papers very rapidly by taking full advantage of latest Internet technology for both submission and review of manuscripts. The online journal is an essential reading to all pharmaceutical scientists involved in research in drug design and discovery.