Introduction: EBV associated with oncogenic transformations of B cells is also associated with a strong BALF-4 glycoprotein and may be a good candidate for new natural antiviral compounds. Thus the goal of the current study is to investigate the inhibitory ability of O. Bioactive compounds of the sanctum against BALF-4 of EBV.
Materials and
methods: With further optimization of both the protein and ligands, the 3D
structure of BALF-4 was recovered from the PDB data bank. The in-silico
inhibitory potential of the selected BALF-4 beta lactam derivatives was
achieved by AutoDock 2.0 and visualised with PYMOL using molinspiration
calculations to determine the molecular properties of BALF-4 derivatives and
further evaluation of their drug likeliness.
Results: The potent inhibitor drug for targeting BALF-4 with a promising
binding energy of -9.32 and -8.12 Kcal/mol with four bonds of hydrogen appears
to be cirsimaritin and ursolic acid. Drug likeliness parameters, followed by
other biocompounds, recorded ursolic acid as a promising protease and enzyme inhibitor.
Please see the link :- https://www.ikprress.org/index.php/PCBMB/article/view/5297
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