尼帕病毒疫苗学的革命:亚单位疫苗开发战略和免疫学进展的启示。

In silico pharmacology Pub Date : 2024-07-27 eCollection Date: 2024-01-01 DOI:10.1007/s40203-024-00246-9
Tapas Das, Sutapa Datta, Arnab Sen
{"title":"尼帕病毒疫苗学的革命:亚单位疫苗开发战略和免疫学进展的启示。","authors":"Tapas Das, Sutapa Datta, Arnab Sen","doi":"10.1007/s40203-024-00246-9","DOIUrl":null,"url":null,"abstract":"<p><p>The Nipah virus (NiV), a zoonotic virus in the Henipavirus genus of the Paramyxoviridae family, emerged in Malaysia in 1998 and later spread globally. Diseased patients may have a 40- 70% chance of fatality depending on the severity and early medication. The recent outbreak of NiV was reported in Kerala (India) by a new strain of MCL-19-H-1134 isolate. Currently, no vaccines are available, highlighting the critical need for a conclusive remedy. Our study aims to develop a subunit vaccine against the NiV by analyzing its proteome. NiV genome and proteome sequences were obtained from the NCBI database. A phylogenetic tree was constructed based on genome alignment. T-cell, helper T-cell, and B-cell epitopes were predicted from the protein sequences using NetCTL-1.2, NetMHCIIPan-4.1, and IEDB servers, respectively. High-affinity epitopes for human receptors were selected to construct a multi-epitope vaccine (MEV). These epitopes' antigenicity, toxicity, and allergenicity were evaluated using VaxiJen, AllergenFP-v.1.0, and AllergenFP algorithms. Molecular interactions with specific receptors were analyzed using PyRx and ClusPro. Amino acid interactions were visualized and analyzed using PyMOL and LigPlot. Immuno-simulation was conducted using C-ImmSim to assess the immune response elicited by the MEV. Finally, the vaccine cDNA was inserted into the pET28a(+) expression vector using SnapGene tool for in silico cloning in an E. coli host. The potential for an imminent outbreak cannot be overlooked. A subunit vaccine is more cost-effective and time-efficient. With additional in vitro and in vivo validation, this vaccine could become a superior preventive measure against NiV disease.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s40203-024-00246-9.</p>","PeriodicalId":94038,"journal":{"name":"In silico pharmacology","volume":"12 2","pages":"69"},"PeriodicalIF":0.0000,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11282045/pdf/","citationCount":"0","resultStr":"{\"title\":\"Revolutionizing Nipah virus vaccinology: insights into subunit vaccine development strategies and immunological advances.\",\"authors\":\"Tapas Das, Sutapa Datta, Arnab Sen\",\"doi\":\"10.1007/s40203-024-00246-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The Nipah virus (NiV), a zoonotic virus in the Henipavirus genus of the Paramyxoviridae family, emerged in Malaysia in 1998 and later spread globally. Diseased patients may have a 40- 70% chance of fatality depending on the severity and early medication. The recent outbreak of NiV was reported in Kerala (India) by a new strain of MCL-19-H-1134 isolate. Currently, no vaccines are available, highlighting the critical need for a conclusive remedy. Our study aims to develop a subunit vaccine against the NiV by analyzing its proteome. NiV genome and proteome sequences were obtained from the NCBI database. A phylogenetic tree was constructed based on genome alignment. T-cell, helper T-cell, and B-cell epitopes were predicted from the protein sequences using NetCTL-1.2, NetMHCIIPan-4.1, and IEDB servers, respectively. High-affinity epitopes for human receptors were selected to construct a multi-epitope vaccine (MEV). These epitopes' antigenicity, toxicity, and allergenicity were evaluated using VaxiJen, AllergenFP-v.1.0, and AllergenFP algorithms. Molecular interactions with specific receptors were analyzed using PyRx and ClusPro. Amino acid interactions were visualized and analyzed using PyMOL and LigPlot. Immuno-simulation was conducted using C-ImmSim to assess the immune response elicited by the MEV. Finally, the vaccine cDNA was inserted into the pET28a(+) expression vector using SnapGene tool for in silico cloning in an E. coli host. The potential for an imminent outbreak cannot be overlooked. A subunit vaccine is more cost-effective and time-efficient. With additional in vitro and in vivo validation, this vaccine could become a superior preventive measure against NiV disease.</p><p><strong>Supplementary information: </strong>The online version contains supplementary material available at 10.1007/s40203-024-00246-9.</p>\",\"PeriodicalId\":94038,\"journal\":{\"name\":\"In silico pharmacology\",\"volume\":\"12 2\",\"pages\":\"69\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-07-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11282045/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"In silico pharmacology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1007/s40203-024-00246-9\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/1/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"In silico pharmacology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s40203-024-00246-9","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/1/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

尼帕病毒(Nipah virus,NiV)是一种人畜共患病病毒,属于副粘病毒科 Henipavirus 属,1998 年在马来西亚出现,随后在全球蔓延。视病情严重程度和早期用药情况而定,患者的死亡几率为 40-70%。据报道,最近在印度喀拉拉邦爆发的 NiV 是由 MCL-19-H-1134 株新分离株引起的。目前,尚无疫苗可用,因此迫切需要一种确凿的补救措施。我们的研究旨在通过分析 NiV 的蛋白质组来开发针对 NiV 的亚单位疫苗。我们从 NCBI 数据库中获得了 NiV 的基因组和蛋白质组序列。根据基因组比对构建了系统发生树。分别使用 NetCTL-1.2、NetMHCIIPan-4.1 和 IEDB 服务器根据蛋白质序列预测了 T 细胞、辅助 T 细胞和 B 细胞表位。筛选出人类受体的高亲和性表位,构建了多表位疫苗(MEV)。使用 VaxiJen、AllergenFP-v.1.0 和 AllergenFP 算法评估了这些表位的抗原性、毒性和过敏性。使用 PyRx 和 ClusPro 分析了与特定受体的分子相互作用。使用 PyMOL 和 LigPlot 对氨基酸相互作用进行了可视化分析。使用 C-ImmSim 进行了免疫模拟,以评估 MEV 引起的免疫反应。最后,使用 SnapGene 工具将疫苗 cDNA 插入 pET28a(+) 表达载体,在大肠杆菌宿主中进行硅克隆。疫情即将爆发的可能性不容忽视。亚单位疫苗更具成本效益和时间效率。通过更多的体外和体内验证,这种疫苗可能会成为预防 NiV 疾病的上佳措施:在线版本包含补充材料,可查阅 10.1007/s40203-024-00246-9。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Revolutionizing Nipah virus vaccinology: insights into subunit vaccine development strategies and immunological advances.

The Nipah virus (NiV), a zoonotic virus in the Henipavirus genus of the Paramyxoviridae family, emerged in Malaysia in 1998 and later spread globally. Diseased patients may have a 40- 70% chance of fatality depending on the severity and early medication. The recent outbreak of NiV was reported in Kerala (India) by a new strain of MCL-19-H-1134 isolate. Currently, no vaccines are available, highlighting the critical need for a conclusive remedy. Our study aims to develop a subunit vaccine against the NiV by analyzing its proteome. NiV genome and proteome sequences were obtained from the NCBI database. A phylogenetic tree was constructed based on genome alignment. T-cell, helper T-cell, and B-cell epitopes were predicted from the protein sequences using NetCTL-1.2, NetMHCIIPan-4.1, and IEDB servers, respectively. High-affinity epitopes for human receptors were selected to construct a multi-epitope vaccine (MEV). These epitopes' antigenicity, toxicity, and allergenicity were evaluated using VaxiJen, AllergenFP-v.1.0, and AllergenFP algorithms. Molecular interactions with specific receptors were analyzed using PyRx and ClusPro. Amino acid interactions were visualized and analyzed using PyMOL and LigPlot. Immuno-simulation was conducted using C-ImmSim to assess the immune response elicited by the MEV. Finally, the vaccine cDNA was inserted into the pET28a(+) expression vector using SnapGene tool for in silico cloning in an E. coli host. The potential for an imminent outbreak cannot be overlooked. A subunit vaccine is more cost-effective and time-efficient. With additional in vitro and in vivo validation, this vaccine could become a superior preventive measure against NiV disease.

Supplementary information: The online version contains supplementary material available at 10.1007/s40203-024-00246-9.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Investigating the antibacterial potential of thiophene derivatives against wound infections: a combined DFT, molecular docking, and ADMET study targeting Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli resistant genes. Bioactive compounds from fermented Vernonia amygdalina leaf: Potent antibiotics against multidrug-resistant Escherichia coli and Salmonella typhi. In-silico study of novel dimeric flavonoid (OC251FR2) isolated from the seeds of Garcinia kola Heckel (Clusiaceae) against alpha estrogen receptor (ER-α) of breast cancer. Phytotherapeutic potential of Campomanesia xanthocarpa (Mart.) O. Berg: antitumor effects in vitro and in silico, with emphasis on SK-MEL-28 melanoma cells-a study on leaf and fruit infusions. QSAR, molecular docking, MD simulations, and ADMET screening identify potential Heliotropium indicum leads against key targets in benign prostatic hyperplasia.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1