{"title":"Friend or foe: association of Euphorbia spp. with Epstein–Barr virus and Burkitt's lymphoma, an in silico approach","authors":"E. Erdag, Ismet Ersalici, Cenk Serhan Ozverel","doi":"10.2217/fvl-2023-0011","DOIUrl":null,"url":null,"abstract":"Aim: Epstein–Barr virus-related Burkitt's lymphoma (BL) is characterized by EBNA1 expression. Previous studies have hypothesized a correlation between Burkitt's lymphoma and endemicity of Euphorbia spp. whereas others have suggested it possesses antiviral activity. We aimed to investigate the effect of Euphorbia spp. on BL. Methods: AutoDock Vina, GROMACS 2020.4 and VEGA-QSAR were used for in silico assessments. Results: Daphnoretin had a higher binding affinity than the EBNA1 inhibitor VK0044, maintained a steady ligand RMSD value and displayed the largest negative binding energy at the EBNA1 active site. Conclusion: Daphnoretin, a phytochemical of Euphorbia spp., had superior inhibitory activity of EBNA1 over other tested chemicals, suggesting it is an effective therapeutic drug candidate.","PeriodicalId":12505,"journal":{"name":"Future Virology","volume":null,"pages":null},"PeriodicalIF":2.1000,"publicationDate":"2023-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Future Virology","FirstCategoryId":"3","ListUrlMain":"https://doi.org/10.2217/fvl-2023-0011","RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"VIROLOGY","Score":null,"Total":0}
引用次数: 0
Abstract
Aim: Epstein–Barr virus-related Burkitt's lymphoma (BL) is characterized by EBNA1 expression. Previous studies have hypothesized a correlation between Burkitt's lymphoma and endemicity of Euphorbia spp. whereas others have suggested it possesses antiviral activity. We aimed to investigate the effect of Euphorbia spp. on BL. Methods: AutoDock Vina, GROMACS 2020.4 and VEGA-QSAR were used for in silico assessments. Results: Daphnoretin had a higher binding affinity than the EBNA1 inhibitor VK0044, maintained a steady ligand RMSD value and displayed the largest negative binding energy at the EBNA1 active site. Conclusion: Daphnoretin, a phytochemical of Euphorbia spp., had superior inhibitory activity of EBNA1 over other tested chemicals, suggesting it is an effective therapeutic drug candidate.
期刊介绍:
Future Virology is a peer-reviewed journal that delivers essential information in concise, at-a-glance article formats. Key advances in the field are reported and analyzed by international experts, providing an authoritative but accessible forum for this ever-expanding area of research. It is an interdisciplinary forum for all scientists working in the field today.