%0 Journal Article %A Ercan, Selami %A Şenses, Yusuf %D 2020 %T Design and molecular docking studies of new inhibitor candidates for EBNA1 DNA binding site: a computational study %U https://tandf.figshare.com/articles/journal_contribution/Design_and_molecular_docking_studies_of_new_inhibitor_candidates_for_EBNA1_DNA_binding_site_a_computational_study/11533500 %R 10.6084/m9.figshare.11533500.v1 %2 https://tandf.figshare.com/ndownloader/files/20713053 %K Epstein-Barr virus %K EBNA1 DNA binding %K drug design %K molecular docking %X

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.

%I Taylor & Francis