Identification of vaccine candidate against Omicron variant of SARS-CoV-2 using immunoinformatic approaches.

In Silico Pharmacology Pub Date : 2022-07-26 eCollection Date: 2022-01-01 DOI:10.1007/s40203-022-00128-y
Aasim, Ruchika Sharma, C R Patil, Anoop Kumar, Kalicharan Sharma
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引用次数: 6

Abstract

Despite the availability of COVID-19 vaccines, additional more potent vaccines are still required against the emerging variations of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). In the present investigation, we have identified a promising vaccine candidate against the Omicron (B.1.1.529) using immunoinformatics approaches. Various available tools like, the Immune Epitope Database server resource, and NetCTL-1.2, have been used for the identification of the promising T-cell and B-cell epitopes. The molecular docking was performed to check the interaction of TLR-3 receptors and validated 3D model of vaccine candidate. The codon optimization was done followed by cloning using SnapGene. Finally, In-silico immune simulation profile was also checked. The identified T-cell and B-cell epitopes have been selected based on their antigenicity (VaxiJen v2.0) and, allergenicity (AllerTOP v2.0). The identified epitopes with antigenic and non-allergenic properties were fused with the specific peptide linkers. In addition, the 3D model was constructed by the PHYRE2 server and validated using ProSA-web. The validated 3D model was further docked with the Toll-like receptor 3 (TLR3) and showed good interaction with the amino acids which indicate a promising vaccine candidate against the Omicron variant of SARS-CoV-2. Finally, the codon optimization, In-silico cloning and immune simulation profile was found to be satisfactory. Overall, the designed vaccine candidate has a potential against variant of SARS-Cov-2. However, further experimental studies are required to confirm.

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使用免疫信息学方法鉴定针对严重急性呼吸系统综合征冠状病毒2型奥密克戎变异株的候选疫苗。
尽管已有COVID-19疫苗,但仍需要更多更有效的疫苗来预防新出现的严重急性呼吸综合征冠状病毒2 (SARS-CoV-2)变体。在目前的研究中,我们利用免疫信息学方法确定了一种有希望的抗Omicron (B.1.1.529)的候选疫苗。各种可用的工具,如免疫表位数据库服务器资源和NetCTL-1.2,已被用于鉴定有前途的t细胞和b细胞表位。通过分子对接检查TLR-3受体的相互作用,验证候选疫苗的3D模型。密码子优化后使用SnapGene进行克隆。最后,对计算机免疫仿真剖面进行了验证。鉴定的t细胞和b细胞表位根据其抗原性(VaxiJen v2.0)和过敏原性(AllerTOP v2.0)进行选择。鉴定出的抗原和非致敏性表位与特异性肽连接体融合。利用PHYRE2服务器构建三维模型,并利用ProSA-web进行验证。经过验证的3D模型进一步与toll样受体3 (TLR3)对接,并与氨基酸表现出良好的相互作用,这表明一种有希望的抗SARS-CoV-2 Omicron变体的候选疫苗。最后,验证了密码子优化、芯片克隆和免疫模拟的结果。总体而言,设计的候选疫苗具有对抗SARS-Cov-2变体的潜力。然而,这需要进一步的实验研究来证实。
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