ABSTRACT Epstein-Barr virus (EBV), a member of human herpesvirus, causes infectious mononucleosis, Burkitt’s lymphoma, nasopharyngeal carcinoma, gastric carcinoma and Hodgkin lymphomas. Epstein-Barr Nuclear Antigen 1, one of antigens encoded by EBV, comprises 641 amino acid residues. Among the latent infection Epstein-Barr Nuclear Antigen 1 acts in DNA replication, transcription of viral and cellular genes and in immortalisation of B lymphocytes. These special roles of Epstein-Barr Nuclear Antigen 1 make it an important drug target. Therefore, in this study, we create a ligand set of totally 2068 ligands to block binding DNA to Epstein-Barr Nuclear Antigen 1 antigen. After applying Lipinski’s Rule of Five filter to these ligands, 1637 ligands which are suitable to be a drug were run into molecular docking studies. It was seen that designed ligands show more activity to prevent binding DNA to Epstein-Barr Nuclear Antigen 1 antigen rather than ligands selected from the literature which are also studied in vitro and in silico.

中文翻译：

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EBNA1 DNA结合位点新抑制剂候选物的设计和分子对接研究：一项计算研究

摘要 爱泼斯坦-巴尔病毒 (EBV) 是人类疱疹病毒的一种，可引起传染性单核细胞增多症、伯基特淋巴瘤、鼻咽癌、胃癌和霍奇金淋巴瘤。Epstein-Barr 核抗原 1 是 EBV 编码的抗原之一，包含 641 个氨基酸残基。在潜伏感染中，Epstein-Barr 核抗原 1 参与 DNA 复制、病毒和细胞基因的转录以及 B 淋巴细胞的永生化。Epstein-Barr 核抗原 1 的这些特殊作用使其成为重要的药物靶点。因此，在本研究中，我们创建了一组总共 2068 个配体来阻止 DNA 与 Epstein-Barr 核抗原 1 抗原的结合。将Lipinski's Rule of Five过滤器应用于这些配体后，1637个适合作为药物的配体进行了分子对接研究。