■由严重急性呼吸道综合症冠状病毒-2(SARS-CoV-2)引起的COVID-19最近在全球爆发,造成了大流行,并成为对人类的潜在威胁。对病毒遗传组成的分析表明,刺突蛋白,一种主要的结构蛋白,促进病毒进入宿主细胞。
■刺突蛋白已成为预防和治疗研究的主要目标。这里,我们使用生物信息学工具比较了SARS-CoV-2变体的刺突蛋白。
■野生型SARS-CoV-2及其6种变体D614G的刺突蛋白序列,阿尔法(B.1.1.7),beta(B.1.351),三角洲(B.1.617.2),gamma(P.1),和omicron(B.1.1.529)-从NCBI数据库检索。使用ClustalX程序对多重比对进行测序并进行突变分析。几个在线生物信息学工具被用来预测生理,免疫学,和SARS-CoV-2变体的刺突蛋白的结构特征。使用CLC软件构建系统发育树。使用jamovi2软件对数据进行统计分析。
■多重序列分析显示,delta变异体中的P681R突变,将氨基酸从组氨酸(H)变为精氨酸(R),由于精氨酸的高pKa值(12.5)与组氨酸(6.0)相比,使蛋白质更具碱性。物理化学性质揭示了与其他变体相比,δ变体的相对较高的等电点(7.34)和脂肪族指数(84.65)。等电点的统计分析,抗原性,所有变异体的免疫原性都显示出显著的相关性,P值范围从<.007到.04。2D凝胶图的生成显示了δ刺突蛋白与其他变体的分组的分离。刺突蛋白的系统发育树表明,δ变体接近Rousettus蝙蝠冠状病毒和MERS-CoV的混合物。
■SARS-CoV-2变体的比较分析表明,δ变体在性质上更脂肪族,这为它提供了更多的稳定性,并随后影响病毒行为。
UNASSIGNED: A recent global outbreak of COVID-19 caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) created a pandemic and emerged as a potential threat to humanity. The analysis of virus genetic composition has revealed that the spike protein, one of the major structural proteins, facilitates the entry of the virus to host cells.
UNASSIGNED: The spike protein has become the main target for prophylactics and therapeutics studies. Here, we compared the spike proteins of SARS-CoV-2 variants using bioinformatics tools.
UNASSIGNED: The spike protein sequences of wild-type SARS-CoV-2 and its 6 variants-D614G, alpha (B.1.1.7), beta (B.1.351), delta (B.1.617.2), gamma (P.1), and omicron (B.1.1.529)-were retrieved from the
NCBI database. The ClustalX program was used to sequence multiple alignment and perform mutational analysis. Several online bioinformatics tools were used to predict the physiological, immunological, and structural features of the spike proteins of SARS-CoV-2 variants. A phylogenetic tree was constructed using CLC software. Statistical analysis of the data was done using jamovi 2 software.
UNASSIGNED: Multiple sequence analysis revealed that the P681R mutation in the delta variant, which changed an amino acid from histidine (H) to arginine (R), made the protein more alkaline due to arginine\'s high pKa value (12.5) compared to histidine\'s (6.0). Physicochemical properties revealed the relatively higher isoelectric point (7.34) and aliphatic index (84.65) of the delta variant compared to other variants. Statistical analysis of the isoelectric point, antigenicity, and immunogenicity of all the variants revealed significant correlation, with P values ranging from <.007 to .04. The generation of a 2D gel map showed the separation of the delta spike protein from a grouping of the other variants. The phylogenetic tree of the spike proteins showed that the delta variant was close to and a mix of the Rousettus bat coronavirus and MERS-CoV.
UNASSIGNED: The comparative analysis of SARS-CoV-2 variants revealed that the delta variant is more aliphatic in nature, which provides more stability to it and subsequently influences virus behavior.