{"title":"囊性棘球蚴病强化疫苗设计中细粒棘球蚴钙网蛋白的初步计算机分析。","authors":"Zahra Gorgin, Mahzad Yousefi, Shadan Ghiabi, Ali Elahinia, Hamed Yousefi, Zahra Fadaeian Aghmyouni, Negar Jahani, Amirhossein Asgari, Erfan Hamedi, Romina Rajabi, Parham Rahmanian, Saeed Hashemi, Mohammad Arad Zandieh, Hamidreza Majidiani, Alireza Motahari","doi":"10.2174/0127722708309749240821081333","DOIUrl":null,"url":null,"abstract":"<p><strong>Background: </strong>A neglected zoonosis, Cystic Echinococcosis (CE), is most common in developing nations worldwide. Vaccination is, therefore, helpful in preventing this disease.</p><p><strong>Objective: </strong>Predicting the main biochemical properties of <i>E. granulosus</i> Calreticulin (CRT) and its possible B-cell and T-cell-binding epitopes as a valuable candidate for immunization was the goal of the current study.</p><p><strong>Methods: </strong>Predictions were made to determine biochemical, antigenic, structural, and subcellular characteristics, along with the immunogenic epitopes, using several online servers.</p><p><strong>Results: </strong>The extracellular 48.15 KDa protein exhibited no allergenicity, while possessing hydrophilicity (GRAVY: -0.785), stability (instability: 33.88), tolerance to a wide range of temperatures (aliphatic: 62.45), and 59 post-translational modification sites. The secondary structure mostly comprised random coils and extended strands. The 3D model was generated using the Robetta server (confidence: 0.72), and was rehashed and confirmed subsequently. Common B-cell epitopes were discovered by three servers and screened for antigenic, allergenic, and solubility traits. Moreover, MHC-associated epitopes for mice and humans were predicted in <i>E. granulosus</i> CRT with subsequent screening.</p><p><strong>Conclusion: </strong>This work offers a foundation for further investigation in order to design an effective vaccination against CE. Further empirical research on the examined protein solely or in combination with other antigens is needed.</p>","PeriodicalId":29815,"journal":{"name":"Recent Advances in Inflammation & Allergy Drug Discovery","volume":"19 1","pages":"100-109"},"PeriodicalIF":1.2000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Preliminary <i>In silico</i> Analysis of <i>Echinococcus granulosus</i> Calreticulin for Enhanced Vaccine Design against Cystic Echinococcosis.\",\"authors\":\"Zahra Gorgin, Mahzad Yousefi, Shadan Ghiabi, Ali Elahinia, Hamed Yousefi, Zahra Fadaeian Aghmyouni, Negar Jahani, Amirhossein Asgari, Erfan Hamedi, Romina Rajabi, Parham Rahmanian, Saeed Hashemi, Mohammad Arad Zandieh, Hamidreza Majidiani, Alireza Motahari\",\"doi\":\"10.2174/0127722708309749240821081333\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><strong>Background: </strong>A neglected zoonosis, Cystic Echinococcosis (CE), is most common in developing nations worldwide. Vaccination is, therefore, helpful in preventing this disease.</p><p><strong>Objective: </strong>Predicting the main biochemical properties of <i>E. granulosus</i> Calreticulin (CRT) and its possible B-cell and T-cell-binding epitopes as a valuable candidate for immunization was the goal of the current study.</p><p><strong>Methods: </strong>Predictions were made to determine biochemical, antigenic, structural, and subcellular characteristics, along with the immunogenic epitopes, using several online servers.</p><p><strong>Results: </strong>The extracellular 48.15 KDa protein exhibited no allergenicity, while possessing hydrophilicity (GRAVY: -0.785), stability (instability: 33.88), tolerance to a wide range of temperatures (aliphatic: 62.45), and 59 post-translational modification sites. The secondary structure mostly comprised random coils and extended strands. The 3D model was generated using the Robetta server (confidence: 0.72), and was rehashed and confirmed subsequently. Common B-cell epitopes were discovered by three servers and screened for antigenic, allergenic, and solubility traits. Moreover, MHC-associated epitopes for mice and humans were predicted in <i>E. granulosus</i> CRT with subsequent screening.</p><p><strong>Conclusion: </strong>This work offers a foundation for further investigation in order to design an effective vaccination against CE. Further empirical research on the examined protein solely or in combination with other antigens is needed.</p>\",\"PeriodicalId\":29815,\"journal\":{\"name\":\"Recent Advances in Inflammation & Allergy Drug Discovery\",\"volume\":\"19 1\",\"pages\":\"100-109\"},\"PeriodicalIF\":1.2000,\"publicationDate\":\"2025-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Recent Advances in Inflammation & Allergy Drug Discovery\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2174/0127722708309749240821081333\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHARMACOLOGY & PHARMACY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Recent Advances in Inflammation & Allergy Drug Discovery","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2174/0127722708309749240821081333","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHARMACOLOGY & PHARMACY","Score":null,"Total":0}
Preliminary In silico Analysis of Echinococcus granulosus Calreticulin for Enhanced Vaccine Design against Cystic Echinococcosis.
Background: A neglected zoonosis, Cystic Echinococcosis (CE), is most common in developing nations worldwide. Vaccination is, therefore, helpful in preventing this disease.
Objective: Predicting the main biochemical properties of E. granulosus Calreticulin (CRT) and its possible B-cell and T-cell-binding epitopes as a valuable candidate for immunization was the goal of the current study.
Methods: Predictions were made to determine biochemical, antigenic, structural, and subcellular characteristics, along with the immunogenic epitopes, using several online servers.
Results: The extracellular 48.15 KDa protein exhibited no allergenicity, while possessing hydrophilicity (GRAVY: -0.785), stability (instability: 33.88), tolerance to a wide range of temperatures (aliphatic: 62.45), and 59 post-translational modification sites. The secondary structure mostly comprised random coils and extended strands. The 3D model was generated using the Robetta server (confidence: 0.72), and was rehashed and confirmed subsequently. Common B-cell epitopes were discovered by three servers and screened for antigenic, allergenic, and solubility traits. Moreover, MHC-associated epitopes for mice and humans were predicted in E. granulosus CRT with subsequent screening.
Conclusion: This work offers a foundation for further investigation in order to design an effective vaccination against CE. Further empirical research on the examined protein solely or in combination with other antigens is needed.