Pharmaceutics,
Год журнала:
2024,
Номер
16(9), С. 1235 - 1235
Опубликована: Сен. 23, 2024
Lipophilicity
is
an
essential
parameter
of
a
compound
that
determines
the
solubility
and
pharmacokinetic
properties
determine
transport
drug
to
molecular
target.
Dimers
dipyridothiazines
are
diazaphenothiazine
derivatives
exhibiting
diverse
anticancer
potential
in
vitro,
which
related
their
affinity
for
histone
deacetylase.
In
this
study,
lipophilicity
16
isomeric
dipyridothiazine
dimers
was
investigated
theoretically
experimentally
by
reversed-phase
thin-layer
chromatography
(RP-TLC)
acetone-TRIS
buffer
(pH
=
7.4).
The
relative
R
Molecules,
Год журнала:
2024,
Номер
29(10), С. 2369 - 2369
Опубликована: Май 17, 2024
Prediction
of
the
antibacterial
activity
new
chemical
compounds
is
an
important
task,
due
to
growing
problem
bacterial
drug
resistance.
Generalized
linear
models
(GLMs)
were
created
using
85
amidrazone
derivatives
based
on
results
antimicrobial
tests,
determined
as
minimum
inhibitory
concentration
(MIC)
against
Gram-positive
bacteria:
Staphylococcus
aureus,
Enterococcus
faecalis,
Micrococcus
luteus,
Nocardia
corallina,
and
Mycobacterium
smegmatis.
For
analysis
characterized
by
experimentally
measured
MIC
values,
we
included
physicochemical
properties
(e.g.,
molecular
weight,
number
hydrogen
donors
acceptors,
topological
polar
surface
area,
compound
percentages
carbon,
nitrogen,
oxygen,
melting
points,
lipophilicity)
potential
predictors.
The
presence
R1
R2
substituents,
well
interactions
between
temperature
or
also
considered.
set
predictors
possible
biological
effects
antibacterial,
antituberculotic)
tested
calculated
with
PASS
(Prediction
Activity
Spectra
for
Substances)
program.
Using
GLMs
least
absolute
shrinkage
selection
(LASSO),
least-angle
regression,
stepwise
selection,
statistically
significant
optimal
value
adjusted
determination
coefficient
seven
fit
criteria
chosen,
e.g.,
Akaike’s
information
criterion.
most
often
selected
variables
follows:
PASS_antieczematic,
PASS_anti-inflam,
squared
temperature,
PASS_antitumor,
experimental
lipophilicity.
Additionally,
relevant
strain,
substituents
selected,
indicating
that
relationship
depends
type
substituent.
Current Neuropharmacology,
Год журнала:
2024,
Номер
22(13), С. 2168 - 2190
Опубликована: Июнь 7, 2024
Epilepsy
is
a
neurological
disease
with
no
defined
cause,
characterized
by
recurrent
epileptic
seizures.
These
occur
due
to
the
dysregulation
of
excitatory
and
inhibitory
neurotransmitters
in
central
nervous
system
(CNS).
Psychopharmaceuticals
have
undesirable
side
effects;
many
patients
require
more
than
one
pharmacotherapy
control
crises.
With
this
mind,
work
emphasizes
discovery
new
substances
from
natural
products
that
can
combat
Using
silico
techniques,
review
aims
evaluate
antiepileptic
multi-target
activity
phenylpropanoid
derivatives.
Initially,
ligand-based
virtual
screening
models
(LBVS)
were
performed
468
compounds
predict
biological
activities.
The
LBVS
developed
for
targets
alpha-
amino-3-hydroxy-5-methyl-4-isoxazolepropionic
acid
(AMPA),
voltage-gated
calcium
channel
Ttype
(CaV),
gamma-aminobutyric
A
(GABAA),
transporter
type
1
(GAT-1),
potassium
Q
family
(KCNQ),
sodium
(NaV),
N-methyl
D-aspartate
(NMDA).
had
good
results
analyzed
absorption,
distribution,
metabolism,
excretion,
toxicity
(ADMET)
parameters,
later,
best
molecules
evaluated
molecular
docking
consensus.
TR430
compound
showed
pharmacokinetic
parameters;
its
oral
absorption
was
99.03%,
it
did
not
violate
any
Lipinski
rule,
bioavailability,
cytotoxicity
observed
either
molecule
or
metabolites
parameters.
able
bind
GABAA
(activation)
AMPA
(inhibition)
demonstrated
binding
energy
significant
interactions
both
targets.
studied
be
promising
possible
fundamental
pharmacological
treatment
epilepsy.
Advanced Healthcare Materials,
Год журнала:
2024,
Номер
13(28)
Опубликована: Июль 9, 2024
Conjugated
polymer
dots
(Pdots)
have
shown
potential
in
the
biomedical
fields
due
to
their
optical
properties
and
customizable
design.
However,
limited
research
on
biotoxicity
of
Pdots
hinders
further
application
translation.
Lipophilic
are
prone
adsorbing
specific
proteins,
leading
targeted
tissue
accumulation.
Therefore,
lipophilic
fluorescent
(Bare-Pdots)
synthesized
using
conjugated
poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene]
(MEH-PPV)
systematically
evaluate
biodistribution
stem
cells,
zebrafish
embryos,
mice.
It
is
observed
that
Bare-Pdots
readily
internalized
by
cells
adhered
embryonic
chorion.
Additionally,
exhibit
a
distinct
distribution
brown
adipose
heart,
closely
associated
with
phagocytosis
capillary
endothelial
involved
lipid
metabolism.
Notably,
injection
at
5
mg
kg
Processes,
Год журнала:
2024,
Номер
12(8), С. 1599 - 1599
Опубликована: Июль 30, 2024
The
lipophilicity
of
a
substance
is
an
important
physicochemical
parameter
for
the
pharmacological
activity
drug.
In
current
study,
high-performance
thin-layer
chromatography
was
applied
to
determine
LogP
values
following
anticoagulant
drugs:
warfarin,
acenocoumarol,
clopidogrel,
and
prasugrel.
mobile
phase
mixture
acetonitrile
water
in
mixed
proportions.
content
varied
from
50%
80%
5%
increments.
partition
coefficients
were
calculated
with
regression
curve
Rm0
=
f(LogP)
based
on
compounds
known
lipophilicity.
highest
observed
warfarin
lowest
Pharmaceutics,
Год журнала:
2024,
Номер
16(9), С. 1235 - 1235
Опубликована: Сен. 23, 2024
Lipophilicity
is
an
essential
parameter
of
a
compound
that
determines
the
solubility
and
pharmacokinetic
properties
determine
transport
drug
to
molecular
target.
Dimers
dipyridothiazines
are
diazaphenothiazine
derivatives
exhibiting
diverse
anticancer
potential
in
vitro,
which
related
their
affinity
for
histone
deacetylase.
In
this
study,
lipophilicity
16
isomeric
dipyridothiazine
dimers
was
investigated
theoretically
experimentally
by
reversed-phase
thin-layer
chromatography
(RP-TLC)
acetone-TRIS
buffer
(pH
=
7.4).
The
relative
R
