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In silico Approach of Some Selected Manuka Honey Constituents as Epstein–Barr Virus (EBV) Nuclear Antigen 1 (EBNA1) Inhibitors

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Title: In silico Approach of Some Selected Manuka Honey Constituents as Epstein–Barr Virus (EBV) Nuclear Antigen 1 (EBNA1) Inhibitors
Authors: Achmad Chusnu Romdhoni, Mohd Razif Mohamad Yunus
Source: Biomolecular and Health Science Journal, Vol 6, Iss 2, Pp 111-117 (2023)
Publisher Information: Wolters Kluwer – Medknow Publications, 2023.
Publication Year: 2023
Collection: LCC:Public aspects of medicine
LCC:Biotechnology
Subject Terms: epstein–barr nuclear antigen 1, epstein–barr virus, head-and-neck cancer, in silico, manuka honey, Public aspects of medicine, RA1-1270, Biotechnology, TP248.13-248.65
More Details: Introduction: Epstein–Barr virus (EBV) is a carcinogenic cofactor for some epithelial and lymphoid cell malignancies. EBV is associated with most endemic forms of Burkitt lymphoma and nasopharyngeal carcinoma (NPC). In cell proliferation, the maintenance of the latent genome virus depends on the function of the Epstein–Barr Nuclear Antigen 1 (EBNA1) protein. EBNA1 is essential for the survival of primary B-lymphocytes after EBV infection. Manuka honey, black honey from the manuka tree, is in the spotlight for its biological composition and antiviral activity, namely flavonoids and polyphenolic components that provide antimicrobial, antiviral, and antioxidant effects. This research is an alternative therapy for NPC that causes by EBV infection. Methods: A molecular docking approach was used to evaluate the activity of 17 active manuka honeybee product compounds for the ability to inhibit the EBNA1-EBV using the Chimera 1.16 program, SPHGEN program, SPHERE_SELECTOR program, SHOWBOX program, GRID program, and ANTECHAMBER program. Results: All 17 of the ligands demonstrated good binding affinity with the receptor in different ways. Three compounds had a strong binding affinity with a good grid score and may inhibit the EBNA1-EBV and replication of the virus. Conclusion: Leptosin has potential activity as an EBNA1 inhibitor candidate compound that may have potential for treatment of EBV latent infection. This is supported by a gridscore of −61.49 kcal/mol, which is close to the drug candidate (VK-0497), which has a gridscore of −63.32 kcal/mol.
Document Type: article
File Description: electronic resource
Language: English
ISSN: 2620-8636
Relation: https://journals.lww.com/bhsj/fulltext/2023/06020/in_silico_approach_of_some_selected_manuka_honey.6.aspx; https://doaj.org/toc/2620-8636
DOI: 10.4103/bhsj.bhsj_13_23
Access URL: https://doaj.org/article/e093c7859621428fa266df905760fa01
Accession Number: edsdoj.093c7859621428fa266df905760fa01
Database: Directory of Open Access Journals
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  Data: In silico Approach of Some Selected Manuka Honey Constituents as Epstein–Barr Virus (EBV) Nuclear Antigen 1 (EBNA1) Inhibitors
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  Data: Biomolecular and Health Science Journal, Vol 6, Iss 2, Pp 111-117 (2023)
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  Data: Wolters Kluwer – Medknow Publications, 2023.
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  Data: 2023
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  Data: LCC:Public aspects of medicine<br />LCC:Biotechnology
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  Data: <searchLink fieldCode="DE" term="%22epstein–barr+nuclear+antigen+1%22">epstein–barr nuclear antigen 1</searchLink><br /><searchLink fieldCode="DE" term="%22epstein–barr+virus%22">epstein–barr virus</searchLink><br /><searchLink fieldCode="DE" term="%22head-and-neck+cancer%22">head-and-neck cancer</searchLink><br /><searchLink fieldCode="DE" term="%22in+silico%22">in silico</searchLink><br /><searchLink fieldCode="DE" term="%22manuka+honey%22">manuka honey</searchLink><br /><searchLink fieldCode="DE" term="%22Public+aspects+of+medicine%22">Public aspects of medicine</searchLink><br /><searchLink fieldCode="DE" term="%22RA1-1270%22">RA1-1270</searchLink><br /><searchLink fieldCode="DE" term="%22Biotechnology%22">Biotechnology</searchLink><br /><searchLink fieldCode="DE" term="%22TP248%2E13-248%2E65%22">TP248.13-248.65</searchLink>
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  Data: Introduction: Epstein–Barr virus (EBV) is a carcinogenic cofactor for some epithelial and lymphoid cell malignancies. EBV is associated with most endemic forms of Burkitt lymphoma and nasopharyngeal carcinoma (NPC). In cell proliferation, the maintenance of the latent genome virus depends on the function of the Epstein–Barr Nuclear Antigen 1 (EBNA1) protein. EBNA1 is essential for the survival of primary B-lymphocytes after EBV infection. Manuka honey, black honey from the manuka tree, is in the spotlight for its biological composition and antiviral activity, namely flavonoids and polyphenolic components that provide antimicrobial, antiviral, and antioxidant effects. This research is an alternative therapy for NPC that causes by EBV infection. Methods: A molecular docking approach was used to evaluate the activity of 17 active manuka honeybee product compounds for the ability to inhibit the EBNA1-EBV using the Chimera 1.16 program, SPHGEN program, SPHERE_SELECTOR program, SHOWBOX program, GRID program, and ANTECHAMBER program. Results: All 17 of the ligands demonstrated good binding affinity with the receptor in different ways. Three compounds had a strong binding affinity with a good grid score and may inhibit the EBNA1-EBV and replication of the virus. Conclusion: Leptosin has potential activity as an EBNA1 inhibitor candidate compound that may have potential for treatment of EBV latent infection. This is supported by a gridscore of −61.49 kcal/mol, which is close to the drug candidate (VK-0497), which has a gridscore of −63.32 kcal/mol.
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