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

被引：0
|
作者：
Erdag, Emine [1 ]
Ersalici, Ismet [2 ]
Ozverel, Cenk Serhan [3 ,4 ]
机构：
[1] Near East Univ, Fac Pharm, Dept Pharmaceut Chem, CY-99138 Nicosia, Cyprus
[2] Near East Univ, Fac Dent, Dept Orthodont, CY-99138 Nicosia, Cyprus
[3] Near East Univ, Fac Dent, Basic Med Sci Dept, Med Microbiol, CY-99138 Nicosia, Cyprus
[4] Near East Univ, DESAM Res Inst, CY-99138 Nicosia, Cyprus
来源：
FUTURE VIROLOGY | 2023年 / 18卷 / 09期
关键词：
Burkitt's lymphoma; EBNA1; Epstein-Barr virus; Euphorbia spp; molecular docking; INHIBITORS;
D O I：
10.2217/fvl-2023-0011
中图分类号：
Q93 [微生物学];
学科分类号：
071005 ; 100705 ;
摘要：
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.
引用
收藏
页码：583 / 594
页数：12
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