In-silico Study of Novel Dimeric flavonoid (OC251FR2) from the Seeds of Garcinia kola Heckel (Clusiaceae) Against Alpha Estrogen Receptor (ER-α) of Breast cancer
Abstract
In
silico
approach
was
used
to
investigate
the
inhibitory
activities
of
a
novel
dimeric
flavanonol
OC251FR2
(3,3'-oxybis(5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one)-3,3'-oxybis(5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one)
isolated
from
chloroform
fraction
Garcinia
kola ,
against
alpha
Estrogen
receptor
(ER-α);
major
contributor
growth
breast
cancer.
The
docking
conducted
using
Maestro
module
13.5
obtained
ER-α
PDB
(5W9C)
NCBI.
docked
ligprep
with
4-hydroxytamoxifen
being
reference
drug.
qikpro
drug-likeliness
while
ligand
and
induced
fit
were
interaction
binding
affinity
ligands
active
sites
PDB.
result
shows
that
interact
more
amino
acids
in
via
H-bond,
pi-pi
than
drug
4-Hydroxytamoxifen.
determined
by
violated
three
Lipinski
rules
5,
also
have
percent
oral
absorption.
quantum
mechanics
values
show
similar
properties
comparable
4-hydroxytamoxifen.
Hence,
can
serve
as
potential
lead
(ER-α).
Research Square (Research Square), Год журнала: 2024, Номер unknown
Опубликована: Июль 17, 2024
Язык: Английский