Chemical Reviews,
Journal Year:
2023,
Volume and Issue:
123(19), P. 11269 - 11335
Published: Sept. 26, 2023
Late-stage
functionalization
(LSF)
constitutes
a
powerful
strategy
for
the
assembly
or
diversification
of
novel
molecular
entities
with
improved
physicochemical
biological
activities.
LSF
can
thus
greatly
accelerate
development
medicinally
relevant
compounds,
crop
protecting
agents,
and
functional
materials.
Electrochemical
synthesis
has
emerged
as
an
environmentally
friendly
platform
transformation
organic
compounds.
Over
past
decade,
electrochemical
late-stage
(eLSF)
gained
major
momentum,
which
is
summarized
herein
up
to
February
2023.
ACS Central Science,
Journal Year:
2019,
Volume and Issue:
5(9), P. 1572 - 1583
Published: Aug. 30, 2019
Organic
synthesis
is
one
of
the
key
stumbling
blocks
in
medicinal
chemistry.
A
necessary
yet
unsolved
step
planning
solving
forward
problem:
Given
reactants
and
reagents,
predict
products.
Similar
to
other
work,
we
treat
reaction
prediction
as
a
machine
translation
problem
between
simplified
molecular-input
line-entry
system
(SMILES)
strings
(a
text-based
representation)
reactants,
We
show
that
multihead
attention
Molecular
Transformer
model
outperforms
all
algorithms
literature,
achieving
top-1
accuracy
above
90%
on
common
benchmark
data
set.
makes
predictions
by
inferring
correlations
presence
absence
chemical
motifs
reactant,
reagent,
product
present
Our
requires
no
handcrafted
rules
accurately
predicts
subtle
transformations.
Crucially,
our
can
estimate
its
own
uncertainty,
with
an
uncertainty
score
89%
accurate
terms
classifying
whether
correct.
Furthermore,
able
handle
inputs
without
reactant–reagent
split
including
stereochemistry,
which
method
universally
applicable.
Journal of Biomolecular Structure and Dynamics,
Journal Year:
2020,
Volume and Issue:
unknown, P. 1 - 10
Published: April 20, 2020
In
the
past
two
decades,
world
has
faced
several
infectious
disease
outbreaks.
Ebola,
Influenza
A
(H1N1),
SARS,
MERS,
and
Zika
virus
have
had
a
massive
global
impact
in
terms
of
economic
disruption,
strain
on
local
public
health.
Most
recently,
outbreak
novel
coronavirus
2019
(SARS-CoV-2)
that
causes
COVID-19
is
newly
discovered
from
family
Wuhan
city,
China,
known
to
be
great
threat
health
systems.
As
15
April
2020,
The
Johns
Hopkins
University
estimated
affected
more
than
million
people,
resulting
death
toll
above
130,000
around
world.
Infected
people
Europe
America
correspond
about
40%
30%
total
reported
cases
respectively.
At
this
moment
only
few
Asian
countries
controlled
disease,
but
second
wave
new
infections
expected.
Predicting
inhibitor
target
an
urgent
need
protect
human
disease.
Therefore,
protocol
identify
anti-COVID-19
candidate
based
computer-aided
drug
design
urgently
needed.
Thousands
compounds
including
approved
drugs
clinical
trial
are
available
literature.
practice,
experimental
techniques
can
measure
time
space
average
properties
they
cannot
captured
structural
variation
during
interaction
inhibitor.
Computer
simulation
particularly
suitable
complement
experiments
elucidate
conformational
changes
at
molecular
level
which
related
inhibition
process
COVID-19.
computational
essential
tool
phenomenon.
structure-based
virtual
screening
approach
will
used
filter
best
literature,
investigate
with
fundamental
step
vaccines
combat
coronavirus.
This
mini-review
address
structure,
mechanism
action,
test
antiviral
lab
patients
Chemical Society Reviews,
Journal Year:
2021,
Volume and Issue:
50(3), P. 1522 - 1586
Published: Jan. 1, 2021
This
review
provides
a
comprehensive
overview
of
the
recent
applications
organocatalytic
strategies
in
pharmaceutical
synthesis,
with
focus
on
preparation
antiviral,
anticancer,
neuroprotective,
cardiovascular,
antibacterial
and
antiparasitic
agents.
Angewandte Chemie International Edition,
Journal Year:
2019,
Volume and Issue:
58(25), P. 8572 - 8576
Published: April 1, 2019
Abstract
A
systematic,
user‐friendly
assessment
tool
that
delivers
a
clear
overview
of
the
sensitivity
reactions
to
key
parameters
is
highly
desirable.
Herein,
development
such
method
described.
The
intuitive,
standardized
presentation
results
in
radar
diagram
enables
protocol
be
rapidly
assessed.
This
was
applied
five
different
visible‐light‐mediated
photochemical
reactions,
and
were
correlated
underlying
mechanism.
Ultimately,
we
believe
this
will
help
increase
uptake
new
synthetic
methods
their
reproducibility.
Chemical Reviews,
Journal Year:
2021,
Volume and Issue:
122(2), P. 2907 - 2980
Published: Sept. 24, 2021
In
the
pursuit
of
new
pharmaceuticals
and
agrochemicals,
chemists
in
life
science
industry
require
access
to
mild
robust
synthetic
methodologies
systematically
modify
chemical
structures,
explore
novel
space,
enable
efficient
synthesis.
this
context,
photocatalysis
has
emerged
as
a
powerful
technology
for
synthesis
complex
often
highly
functionalized
molecules.
This
Review
aims
summarize
published
contributions
field
from
industry,
including
research
industrial-academic
partnerships.
An
overview
developed
strategic
applications
synthesis,
peptide
functionalization,
isotope
labeling,
both
DNA-encoded
traditional
library
is
provided,
along
with
summary
state-of-the-art
photoreactor
effective
upscaling
photocatalytic
reactions.
Journal of Medicinal Chemistry,
Journal Year:
2020,
Volume and Issue:
63(23), P. 14243 - 14275
Published: Sept. 1, 2020
Sulfoximines
have
been
largely
disregarded
in
medicinal
chemistry
for
a
long
time.
However,
recently,
they
risen
to
the
apparent
level
of
stardom
on
drug
discovery
scene.
Considering
outstanding
properties
sulfoximines,
this
versatile
functional
group
has
advanced
implementation
several
programs.
Currently,
fashionable
can
be
found
various
hit-to-lead
and
lead
optimization
studies
early
stages
compounds
currently
clinical
trials.
Herein,
we
review
recent
developments
demonstrate
scope
limitations
interesting
discovery.
