TARGETING EPSTEIN BARR VIRUS ASSOCIATED GLYCOPROTEIN BALF-4 INTERACTIONS WITH O. sanctum BIO COMPOUNDS
PRIYADHARSHINI SURESH BABU
Department of Microbiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences [SIMATS], Saveetha University, P. H. Road, Chennai, Tamilnadu - 600077, India.
A. S. SMILINE GIRIJA
Department of Microbiology, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences [SIMATS], Saveetha University, P. H. Road, Chennai, Tamilnadu - 600077, India.
VIJAYASHREE PRIYADHARSINI
BRULAC-DRC, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences [SIMATS], Saveetha University, P. H. Road, Chennai, Tamilnadu - 600077, India.
*Author to whom correspondence should be addressed.
Abstract
Introduction: EBV associated with B cell oncogenic transformations, is often associated with a potent glycoprotein BALF – 4 and might be a good target for the novel antiviral natural compounds. The aim of the present study is thus to explore the inhibitory potential of O. sanctum bioactive compounds against the BALF-4 of EBV.
Materials and methods: 3D structure of BALF-4 was retrieved from the PDB data bank with further optimization of both the protein and ligands. In-silico inhibitory potential of the selected beta lactam derivatives against BALF-4 was done by AutoDock 2.0 and was visualized with PYMOL with the assessment of the molecular properties of the derivatives against BALF-4 by molinspiration calculations and further assessment for their drug likeliness.
Results: Cirsimaritin and ursolic acid seem to be the potent inhibitory drug to target BALF-4 with a promising binding energy of -9.32 and -8.12 Kcal/mol with four hydrogen bonds. Drug likeliness parameters recorded ursolic acid as a promising protease and enzyme inhibitor followed by other biocompounds.
Conclusion: The findings of the study emphasize the promising BALF-4 inhibitory effect of O.sanctum biocompounds and suggest BALF-4 as the best target to treat EBV infections with further in-vivo validation targeting the same.
Keywords: EBV, BALF-4, O. sanctum