Department of Pharmacy, Faculty of Biological Sciences, University of Chittagong, Chittagong 4331, Bangladesh.
Department of Pharmacy, Mawlana Bhashani Science & Technology University, Santosh, Tangail 1902, Bangladesh.
Molecules. 2020 Nov 2;25(21):5088. doi: 10.3390/molecules25215088.
With an increasing fatality rate, severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) has emerged as a promising threat to human health worldwide. Recently, the World Health Organization (WHO) has announced the infectious disease caused by SARS-CoV-2, which is known as coronavirus disease-2019 (COVID-2019), as a global pandemic. Additionally, the positive cases are still following an upward trend worldwide and as a corollary, there is a need for a potential vaccine to impede the progression of the disease. Lately, it has been documented that the nucleocapsid (N) protein of SARS-CoV-2 is responsible for viral replication and interferes with host immune responses. We comparatively analyzed the sequences of N protein of SARS-CoV-2 for the identification of core attributes and analyzed the ancestry through phylogenetic analysis. Subsequently, we predicted the most immunogenic epitope for the T-cell and B-cell. Importantly, our investigation mainly focused on major histocompatibility complex (MHC) class I potential peptides and NTASWFTAL interacted with most human leukocyte antigen (HLA) that are encoded by MHC class I molecules. Further, molecular docking analysis unveiled that NTASWFTAL possessed a greater affinity towards HLA and also available in a greater range of the population. Our study provides a consolidated base for vaccine design and we hope that this computational analysis will pave the way for designing novel vaccine candidates.
随着病死率的上升,严重急性呼吸综合征冠状病毒 2(SARS-CoV-2)已成为全球范围内对人类健康的一个潜在威胁。最近,世界卫生组织(WHO)宣布由 SARS-CoV-2 引起的传染病,即 2019 年冠状病毒病(COVID-19),为全球性大流行疾病。此外,全球的阳性病例仍呈上升趋势,因此需要一种潜在的疫苗来阻止疾病的进展。最近有研究记录表明,SARS-CoV-2 的核衣壳(N)蛋白负责病毒复制并干扰宿主免疫反应。我们比较分析了 SARS-CoV-2 的 N 蛋白序列,以确定其核心属性,并通过系统发育分析分析其进化史。随后,我们预测了 T 细胞和 B 细胞的最免疫原性表位。重要的是,我们的研究主要集中在主要组织相容性复合体(MHC)I 类潜在肽上,并且 NTASWFTAL 与大多数由 MHC I 类分子编码的人类白细胞抗原(HLA)相互作用。此外,分子对接分析表明,NTASWFTAL 与 HLA 具有更高的亲和力,并且在人群中的分布范围也更广。我们的研究为疫苗设计提供了一个综合的基础,我们希望这种计算分析将为设计新型疫苗候选物铺平道路。