ChemistrySelect,
Journal Year:
2024,
Volume and Issue:
10(1)
Published: Dec. 31, 2024
Abstract
The
current
research
is
based
on
the
synthesis
of
some
novel
bis
‐Schiff
bases
bearing
barbituric
acid
moiety
followed
by
characterization
through
modern
spectroscopic
techniques
and
their
in
vitro
inhibitory
effects
against
enzymes
α‐glucosidase
α‐amylase
were
subsequently
investigated.
In
series,
four
compounds
8
(IC
50
=
5.62
±
0.18
3.12
0.13
µM),
10
7.13
1.03
8.19
1.11
9
12.81
1.92
12.11
1.32
11
15.07
0.38
16.01
0.28
µM)
attributed
notable
dual
inhibition
better
than
standard
acarbose
drug
16.16
0.15
16.65
0.17
µM).
molecular
docking
study
was
performed
to
explored
binding
affinities
key
interactions
synthesized
with
targeted
proteins
(α‐amylase
α‐glucosidase).
Furthermore,
stability
all
verified
density
functional
theory
(DFT)
method
at
B3LYP/6–311++G(d,p).
For
account
intramolecular
interaction,
DFT‐D3
reduced
gradient
(RDG)
methods
utilized.
addition,
utilising
CAM‐B3LYP
6–311++G(d,p),
TD‐DFT
approach
used
examine
different
reactivity
circumstances.
