Abstract
Coumarin
and
its
heterocyclic
derivatives
have
been
receiving
tremendous
attention
from
synthetic
medicinal
chemists
owing
to
their
remarkable
application
in
material
science
as
well
pharmacological
applications.
In
the
current
study,
a
series
of
coumarin‐coupled
benzothiazole
hydrazone
compounds
were
synthesized
by
two‐step
process,
post
which
structural
features
investigated
with
aid
various
spectroscopic
techniques.
The
novel
chromophores
displayed
an
electronic
absorption
band
range
358–428
nm
exhibited
positive
solvatochromism
character
high
molar
coefficient
studied
solvents.
HOMO‐LUMO
gap,
quantum
parameters,
other
pharmacokinetics
ADME‐T
properties
these
through
computational
approach.
Biological
activity
assays
revealed
that
all
excellent
antibacterial
compared
Amoxicillin
also
for
antimycobacterial
efficacy
against
Mycobacterium
tuberculosis
.
Furthermore,
molecular
docking
studies
was
performed
enoyl‐acyl
carrier
protein
reductase
(InhA).
Green Chemistry,
Год журнала:
2024,
Номер
26(7), С. 3565 - 3594
Опубликована: Янв. 1, 2024
This
review
focuses
on
the
use
of
ionic
liquids
(ILs)
in
green
synthesis
1,2,3-triazoles
which
critically
screened,
and
summarized
two
sections
i.e.
,
from
alkynes
substrates
other
than
using
ILs
as
solvent,
catalyst
both.
Heliyon,
Год журнала:
2021,
Номер
7(5), С. e07061 - e07061
Опубликована: Май 1, 2021
Computational
calculations
of
5-bromo-3-nitropyridine-2-carbonitrile
(5B3N2C)
on
molecular
structure
and
energy
are
implemented
using
the
6-311++G(d,p)
basis
set
by
DFT/B3LYP
method.
The
UV-Vis
spectrum
5B3N2C
was
obtained
TD-DFT
with
chloroform
as
a
solvent.
analysis
electrostatic
potential
(MEP)
frontier
orbital
(FMO)
were
used
to
evaluate,
entire
electron
density
organic
reactive
sites
5B3N2C.
electron-hole
conversions
conjointly
deliberated.
Donor-acceptor
interactions
(NBO)
examines
intra-and
intermolecular
charge
transfer,
hyper
conjugate
interaction
compound.
contributions
evaluated
states
(DOS
PDOS).
To
discern
reactivity
molecule,
topology
analyses
done.
biological
prominence
molecule
investigated
in
pertinent
study
docking
target
protein
3CEJ
exhibiting
centromere
associated
inhibitor
property.
Molecular
Dynamics
simulations
done
assess
stability
complex.
physiochemical
parameters
also
compared
those
widely
viable
medications
Ispinesib
Lonafarnib.
ACS Omega,
Год журнала:
2021,
Номер
6(41), С. 27089 - 27100
Опубликована: Окт. 6, 2021
A
new
series
of
1,2,3-triazole
hybrids
containing
either
2-
or
4-hydroxyphenyl
benzothiazole
(2-
4-HBT)
and
naphthalen-1-ol
8-hydroxyquinoline
(8-HQ)
was
synthesized
in
high
yields
fully
characterized.
In
vitro
DNA
binding
studies
with
herring
fish
sperm
(hs-DNA)
showed
that
quinoline-
2-HBT-linked
1,2,3-triazoles
shorter
alkyl
linkers
such
as
6a
are
better
a
affinity
(3.90
×
105
L
mol–1)
hs-DNA
compared
to
naphthol-
4-HBT-linked
bound
longer
linkers.
Molecular
docking
most
active
6a–f
energy
(−8.7
kcal
mol–1).
Also,
compound
displayed
considerable
antibacterial
activity
superior
antifungal
reference
ciprofloxacin
fluconazole,
respectively.
The
results
the
fungal
enzyme
lanosterol
14-α-demethylase
for
(−9.7
involving
dominating
H-bonds,
electrostatic
interaction,
hydrophobic
interaction.
absorption,
distribution,
metabolism,
excretion
(ADME)
parameter,
Molinspiration
bioactivity
score,
PreADMET
properties
revealed
molecules
possess
desirable
physicochemical
drug-likeness
may
be
considered
orally
potential
drugs.
electrophilicity
index
chemical
hardness
were
also
studied
by
density
functional
theory
(DFT)
using
B3LYP/6-311G(d,p)
level/basis
set.
New Journal of Chemistry,
Год журнала:
2023,
Номер
47(19), С. 9077 - 9086
Опубликована: Янв. 1, 2023
Two
libraries
of
antimicrobial
and
fluorescent
7-azaindole
N
-linked
benzyl/phenyl
1,2,3-triazole
hybrids
have
been
synthesized
via
Cu
(II)
catalyzed
click
reaction.
Molecular
docking,
ADME,
Molinspiration
DFT
studies
were
also
carried
out.
Green Chemistry,
Год журнала:
2023,
Номер
26(4), С. 1725 - 1769
Опубликована: Дек. 27, 2023
The
synthesis
of
1,4-disubstituted
1,2,3-triazoles,
showcasing
advancements
in
sustainable
methodologies,
emphasizing
green
solvents,
catalysts,
and
innovative
technologies,
while
addressing
associated
challenges
future
prospects.
Results in Chemistry,
Год журнала:
2023,
Номер
6, С. 101173 - 101173
Опубликована: Окт. 20, 2023
Molecular
hybridization
is
one
of
the
recent
strategies
to
synthesize
a
novel
hybrid
compound
by
combining
two
or
more
pharmacophoric
units.
Being
linkage
process,
it
focuses
on
synthesis
hybrids
which
are
less
toxic
and
potent
than
their
parent
Therefore,
nowadays
medicinal
chemists
look
forwards
for
new
drugs
using
molecular
hybridization.
Chalcones
class
very
important
structural
motifs
in
chemistry.
Similarly,
1,2,3-triazoles
heterocyclic
bio-isostere
having
vast
spectrum
applications
due
its
ease
synthesis,
hydrogen
bond
formation
capacity,
inertness
towards
oxidizing
reducing
agents,
moderate
dipole
moment
good
binding
with
several
agents.
In
this
review,
we
have
summarized
research
articles
describing
application
synthetic
chalcone-triazoles
derivatives.
The
structural-activity
relationship
has
been
discussed
may
provide
helpful
guidelines
future
drug
based
chalcone
triazole
moieties.
Synthetic Communications,
Год журнала:
2023,
Номер
53(5), С. 345 - 375
Опубликована: Фев. 3, 2023
1,2,3-Triazoles
has
emerged
as
one
of
the
most
important
N-heterocyclic
compounds
with
a
broad
range
pharmacological
applications.
This
class
molecules
can
accommodate
wide
substituents
or
groups
around
core
moiety
that
pave
mode
for
synthesis
various
bioactive
compounds.
Copper(I)-catalyzed
azide-alkyne
cycloaddition
reaction
become
leading
click
chemistry
methodologies
due
to
its
high
biocompatibility,
reliability,
and
specificity.
1,4-Disubstituted
1,2,3-triazoles
via
multicomponent
generated
numerous
biological
interest
in
an
efficient
manner.
review
summarizes
recent
literature
on
regioselective
1,4-disubstituted
copper-catalyzed
reactions
since
2018.
