朋友或敌人：大戟属与EB病毒和伯基特淋巴瘤的关联，一种计算机方法

IF 2.1 4区医学 Q3 VIROLOGY

Future Virology Pub Date : 2023-07-07 DOI:10.2217/fvl-2023-0011

E. Erdag, Ismet Ersalici, Cenk Serhan Ozverel

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引用次数: 0

摘要

目的:eb - barr病毒相关性伯基特淋巴瘤(BL)以EBNA1表达为特征。先前的研究假设伯基特淋巴瘤与大戟属的地方性之间存在相关性，而其他人则认为它具有抗病毒活性。方法:采用AutoDock Vina、GROMACS 2020.4和VEGA-QSAR进行计算机评价。结果:与EBNA1抑制剂VK0044相比，瑞香素具有更高的结合亲和力，保持稳定的配体RMSD值，并在EBNA1活性位点表现出最大的负结合能。结论:大戟属植物化学物质Daphnoretin对EBNA1具有较强的抑制作用，是一种有效的候选治疗药物。

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Friend or foe: association of Euphorbia spp. with Epstein–Barr virus and Burkitt's lymphoma, an in silico approach

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.

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来源期刊

Future Virology 医学-病毒学

CiteScore

4.00

自引率

3.20%

发文量

审稿时长

6-12 weeks

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.