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作为候选疫苗的埃博拉病毒糖蛋白抗原肽的计算机模拟设计

In silico design of Ebola virus Glycoprotein antigenic peptides as vaccine candidates.

作者信息

Lara-Ramírez David, Santacruz-Tinoco Clara Esperanza, Ramón-Gallegos Eva, Muñoz-Medina José Esteban

机构信息

Environmental Cytopathology Laboratory, Escuela Nacional de Ciencias Biológicas, Instituto Politécnico Nacional, Mexico CityMexico.

División de Laboratorios Especializados. Instituto Mexicano del Seguro Social, Mexico City, Mexico.

出版信息

PLoS One. 2025 Mar 28;20(3):e0319496. doi: 10.1371/journal.pone.0319496. eCollection 2025.

Abstract

Ebola virus (EBOV) is a filovirus that causes severe hemorrhagic fever and has a fatality rate between 50 and 90%. The vaccines were developed against the Ebola Zaire species; therefore, it is necessary to develop vaccines against other species to control future outbreaks. The objective of this work was to obtain vaccine candidate peptides against different EBOV species through the use of bioinformatics programs and servers that allow glycoprotein (GP) to be analyzed. GP sequences of various EBOV species that did not present gaps or unspecified amino acids or that were repeated (same year, region and laboratory) were downloaded from the NCBI database. A consensus sequence was generated and used to determine vaccine candidate peptides, which were evaluated, through a combination of servers and molecular dynamics, for their ability to interact with B and T lymphocytes, toxicity, allergenicity, solvent exposure, glycosylation, antigenicity, and presence in mature GP. Five vaccine candidate peptides were identified, of which PEP4 had the best characteristics evaluated in this study. PEP4 may be a potential candidate for the development of an EBOV vaccine.

摘要

埃博拉病毒(EBOV)是一种丝状病毒,可引发严重出血热,致死率在50%至90%之间。这些疫苗是针对扎伊尔埃博拉病毒株研发的;因此,有必要研发针对其他毒株的疫苗以控制未来的疫情爆发。这项工作的目的是通过使用能够分析糖蛋白(GP)的生物信息学程序和服务器,获得针对不同埃博拉病毒株的候选疫苗肽。从NCBI数据库下载了各种埃博拉病毒株的GP序列,这些序列不存在缺口、未指定的氨基酸或重复情况(同一年、地区和实验室)。生成了一个共有序列并用于确定候选疫苗肽,通过服务器和分子动力学相结合的方式评估它们与B淋巴细胞和T淋巴细胞相互作用的能力、毒性、致敏性、溶剂可及性、糖基化、抗原性以及在成熟GP中的存在情况。鉴定出了五种候选疫苗肽,其中PEP4在本研究中评估的特性最佳。PEP4可能是埃博拉病毒疫苗研发的潜在候选物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cc3c/11952221/907d8cf56554/pone.0319496.g001.jpg

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