Investigating
Antibacterial Activities of Phytochemicals from Terminalia chebula and Terminalia
bellirica fruit extract: An in vitro and in silico Study
M.K. Geetha Nambiar and Shameera Ahamed T.K.
Res. J. Chem. Environ.; Vol. 28(7); 50-60;
doi: https://doi.org/10.25303/287rjce050060; (2024)
Abstract
This study aims to investigate the antibacterial activities of phytochemicals derived
from Terminalia chebula (T. Chebula) and Terminalia bellirica (T. bellirica) through
a combined approach of in vitro and in silico analyses. T. chebula and T. bellirica
are medicinal plants widely recognized for their therapeutic properties and have
been traditionally used to treat various infectious diseases. The potential antibacterial
properties of these plants have drawn significant interest in recent years. In the
in vitro phase of the study, crude extracts of dried fruit of T. chebula and T.
bellirica are prepared and subjected to various antibacterial assays against a panel
of clinically significant bacterial strains. It has been found that both extracts
were effective against Staphylococcus aureus but had no inhibitory effect on Escherichia
coli and Salmonella typhi at the tested concentrations.
Furthermore, the study incorporated an in silico analysis to predict the interactions
between the active phytochemical constituents and Staphylococcus aureus targets.
Molecular docking was employed to examine the binding affinity and mode of interaction
of these phytochemicals with the active site of protein DNA Gyrase of Staphylococcus
aureus (3U2D). Most of the phytochemicals posed the highest binding affinity than
inbuilt ligands. The protein interacted effectively with phytochemicals through
various types of interactions including hydrogen bonding, electrostatic interactions,
carbon-hydrogen bonding, metal-ion coordination and hydrophobic interactions. These
interactions suggest potential binding mechanisms and provide important information
about the potential biological activities of these phytochemicals. From ADME and
toxicity analysis, phytochemicals "Syringic acid," "Ellagic acid" and "Punicalagin"
from Terminalia chebula and "Ellagic acid," "Chebulagic acid" and "Terchebin" from
Terminalia bellirica emerged as potential druggable candidates with relatively low
toxicity concerns.
