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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
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.
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页码:583 / 594
页数:12
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