Comparative Molecular
docking analysis of Target fruit ripening enzyme Tomato Beta galactosidase (TBG-4)
Balakrishnan M., Supriya P., Soam S.K., Srinivasa Rao CH. and Sumalatha K.
Res. J. Biotech.; Vol. 17(1); 29-39;
doi: https://doi.org/10.25303/1701rjbt2939; (2022)
Abstract
Tomatoes comprise a high level of TBG4 (Tomato Beta galactosidase-4) enzyme activity
that plays a key role in fruit softening by significant changes in the galactosyl
content in the pericarp cell wall. In the present work, in silico docking studies
of beta galactosidase with specific elucidated ligands were carried out. For the
better understanding of protein ligand interactions, a set of 16 ligands were used
for docking studies.
In the present study, two different comparative docking softwares, Autodock4.0 and
iGEMDOCK were used to study the protein–ligand interactions and performed to get
the best docking scores. PLIP software was used for visualization of protein ligand
complex and their interactions. Binding energies of 16 ligands were predicted among
which 5 ligands 151, 2FL, B2G, EPE and LAT were analysed and confirmed as best ligands.
Among them 151(2S)-3-Methyl-2-((2R,3S)-3- [(Mehtylsulfonyl)amino]-1-[2-(Pyrolidin-1-ylmethyl)-
1,3-Oxazol-4yl} Butanoic acid is the best inhibitor of TBG4 enzyme activity leading
to significant enhancement in fruit shelf life.
