Pharmacognosy Magazine,
Journal Year:
2024,
Volume and Issue:
unknown
Published: Dec. 2, 2024
Background
The
rising
incidence
of
Major
Depressive
Disorder
(MDD),
in
conjunction
with
the
inadequate
effectiveness
and
resistance
observed
existing
therapeutic
approaches,
emphasizes
urgent
need
to
investigate
novel
therapeutics
that
provide
enhanced
efficacy
reduced
adverse
effects.
Abrus
precatorius
L.,
an
herb
is
readily
available
frequently
utilized
traditional
medicine,
prescribed
patients
suffering
from
neurological
disorders.
Purpose
goal
this
study
discover
active
compounds
A.
plant
can
specifically
target
GluR3
receptor
using
silico
techniques,
develop
a
safe
efficient
treatment
for
MDD.
Methods
Homology
modeling,
molecular
docking,
dynamics
simulation,
absorption,
distribution,
metabolism,
excretion,
toxicity
(ADMET)
analysis
were
employed
investigation
screen
derived
precatorius.
Their
potential
inhibit
α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic
acid
activity,
glutamate
3
(GluR3),
which
associated
MDD,
was
objective
study.
Results
Among
31
precatorius,
15
successfully
cleared
ADMET
filter
criteria.
Subsequently,
best
homology
model
constructed
Phyre2.
This
facilitated
into
intramolecular
interactions
exhibited
by
filtered
compounds.
Notably,
four
most
pronounced
binding
affinities
are
identified
their
PubChem
compound
IDs
(CIDs):
160511,
44257585,
1983,
145857.
affinity
internal
top-ranking
compound,
CID
subjected
further
validation
through
MD
simulations,
affirming
its
sustained
stability
binding.
Conclusion
CIDs:
160511
no
notable
side
effects
high
stability,
making
it
drug
candidate
To
ascertain
precise
medications,
additional
vitro,
vivo,
clinical
studies
required.
Pharmaceuticals,
Journal Year:
2024,
Volume and Issue:
17(2), P. 211 - 211
Published: Feb. 6, 2024
Tuberculosis
(TB)
is
notorious
as
the
leading
cause
of
death
worldwide
due
to
a
single
infectious
entity
and
its
causative
agent,
Mycobacterium
tuberculosis
(Mtb),
has
been
able
evolve
resistance
all
existing
drugs
in
treatment
arsenal
complicating
disease
management
programs.
In
drug
discovery
efforts,
natural
products
are
important
starting
points
generating
novel
scaffolds
that
have
evolved
specifically
bind
vulnerable
targets
not
only
pathogens
such
Mtb,
but
also
mammalian
associated
with
human
diseases.
Structural
diversity
one
most
attractive
features
products.
This
review
provides
summary
fused-nitrogen-containing
heterocycles
found
reported
literature
known
antitubercular
activities.
The
structurally
targeted
discussed
this
could
provide
revealing
insight
into
chemical
aspects
biological
functions
for
TB
efforts.
RSC Advances,
Journal Year:
2024,
Volume and Issue:
14(30), P. 21763 - 21777
Published: Jan. 1, 2024
In
this
study,
we
designed
and
synthesized
a
series
of
coumarin
derivatives
as
antitubercular
agents
targeting
the
enoyl
acyl
carrier
protein
reductase
(InhA)
enzyme.
Among
compounds,
tetrazole
derivative
4c
showed
most
potent
effect
with
minimum
inhibitory
concentration
value
(MIC)
15
μg
mL-1
against
Mtb
H37Rv
could
also
inhibit
growth
mutant
strain
(ΔkatG).
Compound
was
able
to
penetrate
Mtb-infected
human
macrophages
suppress
intracellular
tubercle
bacilli.
Moreover,
target
InhA
enzyme
an
IC50
0.565
μM,
which
superior
reference
inhibitor
triclosan.
Molecular
docking
compound
within
active
site
revealed
importance
4-phenylcoumarin
ring
system
moiety
for
activity.
Finally,
physicochemical
properties
pharmacokinetic
parameters
were
investigated.
Molecules,
Journal Year:
2024,
Volume and Issue:
29(2), P. 484 - 484
Published: Jan. 18, 2024
Indole
is
an
important
element
of
many
natural
and
synthetic
molecules
with
significant
biological
activity.
Nonetheless,
the
co-presence
transitional
metals
in
organic
scaffold
may
represent
factor
development
effective
medicinal
agents.
This
review
covers
some
latest
most
relevant
achievements
pharmacological
activity
indole-containing
metal
complexes
area
drug
discovery.
Dalton Transactions,
Journal Year:
2024,
Volume and Issue:
53(22), P. 9433 - 9440
Published: Jan. 1, 2024
We
describe
the
preparation
and
characterization
of
novel
Au(
iii
)
cyclometallated
κ
1
S-azoli(ni)um-2-dithiocarboxylatecomplexes
their
rearrangement
to
biscyclometallated
2
-S,S′-azoli(ni)um-2-(methoxy)methanedithiolate
complexes.
Biomedicines,
Journal Year:
2022,
Volume and Issue:
10(11), P. 2793 - 2793
Published: Nov. 3, 2022
Tuberculosis
(TB)
is
accountable
for
considerable
global
morbidity
and
mortality.
Effective
TB
therapy
with
multiple
drugs
completes
in
about
six
months.
The
longer
duration
of
challenges
patient
compliance
contributes
to
treatment
collapse
drug
resistance
(DR)
progress.
Therefore,
new
medications
an
innovative
mechanism
action
are
desperately
required
shorten
the
therapy's
effective
control.
mycobacterial
membrane
protein
Large
3
(MmpL3)
a
novel,
mycobacteria-conserved
recognized
promiscuous
target
used
development
better
treatments
multi-drug
(MDR-TB)
extensively
drug-resistant
(XDR-TB).
This
article
spotlights
MmpL3,
clinical
studies
its
inhibitor
(SQ109),
patent
literature.
literature
on
MmpL3
inhibitors
was
searched
PubMed
freely
available
databases
(Espacenet,
USPTO,
PatentScope).
SQ109,
analog
ethambutol
(EMB),
established
has
completed
Phase
2b-3
trials.
Infectex
Sequella
developing
orally
active
SQ109
partnership
treat
MDR
pulmonary
TB.
demonstrated
activity
against
drug-sensitive
(DS)
Mycobacterium
tuberculosis
(Mtb)
synergistic
effect
isoniazid
(INH),
rifampicin
(RIF),
clofazimine
(CFZ),
bedaquiline
(BNQ).
combination
clofazimine,
bedaquiline,
pyrazinamide
(PZA)
been
patented
due
excellent
anti-TB
MDR-TB,
XDR-TB,
latent-TB.
combinations
other
(chloroquine,
hydroxychloroquine,
sutezolid)
have
also
claimed
more
potent
than
EMB
could
substitute
intensive
stage
three-
or
four-drug
combination.
Developing
promising
approach
fighting
associated
DS-TB
DR-TB.
authors
foresee
such
as
future
treatment.
Deleted Journal,
Journal Year:
2025,
Volume and Issue:
7(3)
Published: March 7, 2025
Abstract
Scientists
are
fascinated
by
the
indole
structure
due
to
its
diverse
biological
activities,
encompassing
both
itself
and
numerous
substituted
derivatives.
Heterocycles,
particularly
those
containing
indoles,
play
pivotal
roles
in
domains
of
medicinal
chemistry,
drug
designing
discovery,
agrochemicals,
photochemistry,
dyes,
other
applications,
which
has
led
their
prominence
chemistry
field.
This
review
highlights
applications
indole-based
five-membered
heterocycles
as
versatile
scaffolds
for
development,
emphasizing
therapeutic
potential
antidiabetic,
anti-inflammatory,
anticancer,
antimicrobial,
antioxidant
agents,
antialzheimer
anticonvulsant
agents.
A
comprehensive
literature
search
was
carried
out
explore
chemical,
biological,
structural
activity
correlations
hybrids.
Studies
published
between
2017
2024
were
chosen
from
databases
such
PubMed,
Scopus
Google
Scholar,
synthesis,
application
chemistry.
Unique
this
is
exploration
structure–activity
relationships
(SAR),
synthetic
approaches
emerging
challenges
development
drugs.
Key
insights
include
innovative
strategies
enhance
efficacy
through
modifications
various
derivatives
areas.
These
findings
hold
great
improving
design
more
effective
pharmaceuticals.
Graphical
abstract
