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基于免疫信息学的 SARS-CoV-2 印度分离株细胞毒性 T 淋巴细胞表位鉴定。

Immunoinformatic based identification of cytotoxic T lymphocyte epitopes from the Indian isolate of SARS-CoV-2.

机构信息

Department of Applied Science, Indian Institute of Information Technology Allahabad, Prayagraj, 211012, India.

出版信息

Sci Rep. 2021 Feb 25;11(1):4516. doi: 10.1038/s41598-021-83949-9.

Abstract

The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has turned into a pandemic with about thirty million confirmed cases worldwide as of September 2020. Being an airborne infection, it can be catastrophic to populous countries like India. This study sets to identify potential cytotoxic T lymphocyte (CTL) epitopes in the SARS-CoV-2 Indian isolate which can act as an effective vaccine epitope candidate for the majority of the Indian population. The immunogenicity and the foreignness of the epitopes towards the human body have to be studied to further confirm their candidacy. The top-scoring epitopes were subjected to molecular docking studies to study their interactions with the corresponding human leukocyte antigen (HLA) system. The CTL epitopes were observed to bind at the peptide-binding groove of the corresponding HLA system, indicating their potency as an epitope candidate. The candidacy was further analyzed using sequence conservation studies and molecular dynamics simulation. The identified epitopes can be subjected to further studies for the development of the SARS-CoV-2 vaccine.

摘要

截至 2020 年 9 月,严重急性呼吸系统综合征冠状病毒 2(SARS-CoV-2)已在全球范围内引发约 3000 万例确诊病例,成为大流行。由于它是一种空气传播的感染,对于像印度这样人口众多的国家来说可能是灾难性的。本研究旨在确定 SARS-CoV-2 印度分离株中的潜在细胞毒性 T 淋巴细胞(CTL)表位,这些表位可以作为大多数印度人口的有效疫苗表位候选物。必须研究表位对人体的免疫原性和外来性,以进一步证实其候选性。得分最高的表位进行了分子对接研究,以研究它们与相应的人类白细胞抗原(HLA)系统的相互作用。观察到 CTL 表位结合在相应 HLA 系统的肽结合槽中,表明它们作为表位候选物的效力。候选资格进一步通过序列保守性研究和分子动力学模拟进行分析。鉴定的表位可以进一步研究用于开发 SARS-CoV-2 疫苗。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2120/7907102/76e4fc54d9bf/41598_2021_83949_Fig1_HTML.jpg

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