Ali Khan, Sara Khan, Muhammad Rahiyab, Salman Khan, Zabih Ullah, Syed Shujait Ali
{"title":"设计一种靶向糖蛋白B和H的高抗原多表位亚单位抗牛α疱疹病毒2疫苗:一种反向疫苗学方法","authors":"Ali Khan, Sara Khan, Muhammad Rahiyab, Salman Khan, Zabih Ullah, Syed Shujait Ali","doi":"10.1016/j.meomic.2025.100047","DOIUrl":null,"url":null,"abstract":"<div><div>Bovine alphaherpesvirus 2 (BoHV-2), a major pathogen in cattle, belongs to the <em>Herpesviridae</em> family. In this work, we designed a vaccine against BoHV-2 using its envelope glycoprotein B (gB) and glycoprotein H. In this work, computational methods were utilized for predicting the B and T lymphocyte epitopes with striking results in their antigenicity and low allergenicity. Thereafter, the vaccine design stability tests showed that it was physicochemically stable. Molecular docking and molecular dynamics simulation analyses validated its further efficacy. The docking results demonstrated 11 hydrogen bonds coupled with one salt bridge between the vaccine and TLR3 while PRODIGY analysis suggested a binding free energy (ΔG) of −10.7 kcal/mol alongside a dissociation constant (kDa) of 1.5e-08. In silico cloning demonstrations showed effective expression levels together with immune simulation predictions, suggesting robust immunological responses. However, this study has certain limitations, such as the experimental validation. Future <em>in vivo</em> and <em>in vitro</em> studies are required to confirm the immunogenicity and safety of the in-silico designed vaccine construct.</div></div>","PeriodicalId":100914,"journal":{"name":"Medicine in Omics","volume":"14 ","pages":"Article 100047"},"PeriodicalIF":0.0000,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Designing a highly antigenic multi epitope subunit vaccine against Bovine alpha herpes virus 2 targeting glycoprotein B and H: A reverse vaccinology approach\",\"authors\":\"Ali Khan, Sara Khan, Muhammad Rahiyab, Salman Khan, Zabih Ullah, Syed Shujait Ali\",\"doi\":\"10.1016/j.meomic.2025.100047\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Bovine alphaherpesvirus 2 (BoHV-2), a major pathogen in cattle, belongs to the <em>Herpesviridae</em> family. In this work, we designed a vaccine against BoHV-2 using its envelope glycoprotein B (gB) and glycoprotein H. In this work, computational methods were utilized for predicting the B and T lymphocyte epitopes with striking results in their antigenicity and low allergenicity. Thereafter, the vaccine design stability tests showed that it was physicochemically stable. Molecular docking and molecular dynamics simulation analyses validated its further efficacy. The docking results demonstrated 11 hydrogen bonds coupled with one salt bridge between the vaccine and TLR3 while PRODIGY analysis suggested a binding free energy (ΔG) of −10.7 kcal/mol alongside a dissociation constant (kDa) of 1.5e-08. In silico cloning demonstrations showed effective expression levels together with immune simulation predictions, suggesting robust immunological responses. However, this study has certain limitations, such as the experimental validation. Future <em>in vivo</em> and <em>in vitro</em> studies are required to confirm the immunogenicity and safety of the in-silico designed vaccine construct.</div></div>\",\"PeriodicalId\":100914,\"journal\":{\"name\":\"Medicine in Omics\",\"volume\":\"14 \",\"pages\":\"Article 100047\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2025-08-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Medicine in Omics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2590124925000070\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Medicine in Omics","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2590124925000070","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Designing a highly antigenic multi epitope subunit vaccine against Bovine alpha herpes virus 2 targeting glycoprotein B and H: A reverse vaccinology approach
Bovine alphaherpesvirus 2 (BoHV-2), a major pathogen in cattle, belongs to the Herpesviridae family. In this work, we designed a vaccine against BoHV-2 using its envelope glycoprotein B (gB) and glycoprotein H. In this work, computational methods were utilized for predicting the B and T lymphocyte epitopes with striking results in their antigenicity and low allergenicity. Thereafter, the vaccine design stability tests showed that it was physicochemically stable. Molecular docking and molecular dynamics simulation analyses validated its further efficacy. The docking results demonstrated 11 hydrogen bonds coupled with one salt bridge between the vaccine and TLR3 while PRODIGY analysis suggested a binding free energy (ΔG) of −10.7 kcal/mol alongside a dissociation constant (kDa) of 1.5e-08. In silico cloning demonstrations showed effective expression levels together with immune simulation predictions, suggesting robust immunological responses. However, this study has certain limitations, such as the experimental validation. Future in vivo and in vitro studies are required to confirm the immunogenicity and safety of the in-silico designed vaccine construct.