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| dc.description.abstract | Indonesia is a well-known country with a variety of resources vegetables and fruits. Most of
them are used as a prospectus cure for cancer within antioxidant mechanisms. Some parts of
these plants are eucalyptus leaves, bay leaves, guava leaves, mangosteen skin, Kepel leaves,
peanut shell, yellow leaves and seeds of rambutan known to have antioxidant activity. This
recent study aimed to gain information about the chemical interaction studies of the ligandprotein
by
molecular
docking
of
flavonoid
and
phenolic
compounds
with
a
protein
target
that
is
responsible
for antioxidant activity. The eight extracts obtained by maceration using 96%
ethanol were tested their antioxidant activity with DPPH method to obtain their IC
values.
Flavonoids and phenolic compounds of each plants were obtained from the database of
Universal Natural Product (http://pkuxxj.pku.edu.cn/UNPD) and other literature. The 99selected
compounds were performed molecular docking against the 6-protein target using
Dock6. The results were obtained in the form of colour pasta extracts with IC
values (and
yield) for eucalyptus leaves, bay leaves, guava leaves, mangosteen skin, kepel leaves, peanut
shell, yellow leaves and seeds of rambutan was 29.4 (33.36); 43.9 (25.71); 82.6 (30.0); 170
(38.44); 190 (22.71); 240 (6.09); 790 (26.39) and 970 (8.55) µg/mL (% w/w) respectively.
Eucalyptus leaf extract has the greatest antioxidant activity by DPPH method. This result
correlates with its binding activity of molecular docking. A compound, namely (5R)-6,7,8trihydroxy-1,3-dioxo-1H,2H,3H,5H-cyclopenta[c]isochromene-5-carboxylic
acid (eucalyptus) is
highly active against all protein targets followed by murrapanine (yellow) compared to the
native ligand of the protein target. All other molecules of the six remaining extract did not
contain molecule that has a dominant binding affinity of ligand-protein. This could be happened
because the antioxidant activity of each extract was admitted as resultant of several molecules
or there are other molecules that are not incorporated in the flavonoid and phenolic groups that
have antioxidant activity. However, further research is needed to prove that antioxidant activity
is the resultant of several compounds. | en_US |
