丙型肝炎病毒多表位肽疫苗的生物信息学分析：一项分子对接研究
Bioinformatics analysis of multi-epitope peptide vaccines against Hepatitis C virus: a molecular docking study.
作者信息
Muhammad Ashraf M, Salum Ghada M, Meguid Mai Abd El, Fotouh Basma E, Dawood Reham M
机构信息
Applied Biotechnology Program, Faculty of Science, Ain Shams University, Cairo, 11566, Egypt.
Department of Microbial Biotechnology, Genetic Engineering Division, National Research Centre, Dokki, P.O. 12622, Giza, Egypt.
出版信息
J Genet Eng Biotechnol. 2023 Nov 14;21(1):117. doi: 10.1186/s43141-023-00583-w.
BACKGROUND
Hepatitis C Virus (HCV) infection is one of the causal agents of liver disease burden. Six multiple antigenic peptides were synthesized including (P315, P412, and P517) plus (P1771, P2121, and P2941) to induce humoral and cellular responses, respectively against HCV infection.
AIM
This paper aimed to employ computational tools to evaluate the efficacy of each peptide individually and to determine the most effective one for better vaccine development and/or immunotherapy.
METHODS
VaxiJen web and AllerTOP servers were used for antigenicity and allergenicity prediction, respectively. The ToxinPred web server was used to investigate the peptide toxicity. Each peptide was docked with its corresponding receptors.
RESULTS
No peptides were expected to be toxic. P315 and P2941 are predicted to have robust antigenic properties, lowest allergenicity, and minimal sOPEP energies. In turn, P315 (derived from gpE1) formed the highest hydrophobic bonds with the BCR and CD81 receptors that will elicit B cell function. P2941 (derived from NS5B) was shown to strongly bind to both CD4 and CD8 receptors that will elicit T cell function.
CONCLUSION
P315 successfully bound to B cell (BCR and CD81) receptors. Also, P2941 is strongly bound to T cell (CD4 and CD8) receptors.
背景
丙型肝炎病毒（HCV）感染是肝脏疾病负担的致病因素之一。合成了六种多重抗原肽，包括（P315、P412和P517）以及（P1771、P2121和P2941），分别诱导针对HCV感染的体液和细胞免疫反应。
目的
本文旨在利用计算工具单独评估每种肽的功效，并确定最有效的肽，以促进更好的疫苗开发和/或免疫治疗。
方法
分别使用VaxiJen网站和AllerTOP服务器进行抗原性和致敏性预测。使用ToxinPred网站服务器研究肽的毒性。每种肽与其相应的受体进行对接。
结果
预计没有肽具有毒性。预测P315和P2941具有强大的抗原特性、最低的致敏性和最小的sOPEP能量。反过来，P315（源自gpE1）与BCR和CD81受体形成了最高数量的疏水键，这将引发B细胞功能。P2941（源自NS5B）被证明与CD4和CD8受体都有强烈结合，这将引发T细胞功能。
结论
P315成功地与B细胞（BCR和CD81）受体结合。此外，P2941与T细胞（CD4和CD8）受体有强烈结合。
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