Abstract
The
advent
of
machine
learning
(ML)
has
significantly
advanced
enzyme
engineering,
particularly
through
zero‐shot
(ZS)
predictors
that
forecast
the
effects
amino
acid
mutations
on
properties
without
requiring
additional
labeled
data
for
target
enzyme.
This
review
comprehensively
summarizes
ZS
developed
over
past
decade,
categorizing
them
into
kinetic
parameters,
stability,
solubility/aggregation,
and
fitness.
It
details
algorithms
used,
encompassing
traditional
ML
approaches
deep
models,
emphasizing
their
predictive
performance.
Practical
applications
in
engineering
specific
enzymes
are
discussed.
Despite
notable
advancements,
challenges
persist,
including
limited
training
necessity
to
incorporate
environmental
factors
(e.g.,
pH,
temperature)
dynamics
these
models.
Future
directions
proposed
advance
prediction‐guided
thereby
enhancing
practical
utility
predictors.
Biocatalysis and Biotransformation,
Год журнала:
2025,
Номер
unknown, С. 1 - 8
Опубликована: Янв. 15, 2025
An
efficient
and
environmental
method
was
employed
to
synthesize
multi-substituted
2H-pyran
from
methyl
coumalate
β-keto
esters
or
diketones.
Porcine
pancreas
lipase
(PPL)
can
catalyze
this
transformation
in
high
yields
(74–96%)
aqueous
medium
(H2O:
DMSO
=
2:1)
under
mild
conditions
(60
°C).
The
reported
strategy
exhibits
functional
group
compatibility
broad
substrate
scope.
In
addition,
it
provides
access
a
variety
of
tetra-substituted
2H-pyrans
which
are
considered
privileged
scaffolds
with
diverse
biological
activities.
Journal of Agricultural and Food Chemistry,
Год журнала:
2025,
Номер
73(9), С. 5341 - 5352
Опубликована: Фев. 19, 2025
Mogroside
V
is
a
triterpene,
natural
high-intensity
sweetener,
isolated
from
the
fruits
of
Siraitia
grosvenorii.
Selective
glycosylation
mogrol
feasible
approach
for
biosynthesis
mogroside
V.
In
this
study,
glycosyltransferase
UGTM1
and
UGTM2
were
engineered
to
UGTM1-3
UGTM2-4,
which
selectively
directly
transfer
glucose
UDPG
3'-hydroxyl
24'-hydroxyl
groups
their
branch
chains
moiety
The
enzyme
activities
UGTM2-4
enhanced
2.88
3.60
times,
respectively.
To
eliminate
need
improve
productivity,
regeneration
system
was
introduced
couple
with
UGTs.
Finally,
converted
by
UGTM1-3,
AtSUS1
conversion
rate
18.2%
without
exogenous
addition
UDPG.
This
study
provides
an
in
vitro
multienzyme
cascade
catalytic
efficient
bioRxiv (Cold Spring Harbor Laboratory),
Год журнала:
2025,
Номер
unknown
Опубликована: Апрель 20, 2025
Abstract
Candida
antarctica
lipase
B
(CALB)
is
widely
used
in
biocatalysis
with
applications
plastics
degradation
and
chemical
synthesis.
CALB
activated
by
hydrophobic
matrices
and,
enigmatically,
shows
striking
activation
polar,
choline-based,
Deep
Eutectic
Solvents
(DES).
Herein,
we
show
that
stabilisation
TAAs
caused
binding
to
choline’s
tetraalkylammonium
(TAA)
moiety.
Several
related
TAA
salts
also
which
was
proportional
the
hydrophobicity
of
their
alkyl
substituents.
Remarkably,
tetraoctylammonium
bromide
showed
∼500%
even
at
low
micromolar
levels.
These
represent
a
new
class
enzyme
activator.
Molecular
modelling
identified
alkylammonium
location
as
patch
centred
around
Asp-145
CALB.
Binding
this
site
explains
polar
DES
solvents
its
relationship
other
pathways
activation.
demonstrate
CALB,
like
many
lipases,
calcium.
Intriguingly,
mixed
soluble
activator
experiments
calcium
choline
bind
different
sites,
suggesting
two-site
model
for
observations,
along
previous
findings,
widespread
property
enzymes
constitutes
novel
potent
means
enhance
turnover
stability.
Highlights
cause
Hyperactivation
(5-fold)
ions
occurs
concentrations.
Two
independent
sites
activation,
ions,
are
Activation
stabilises
while
destabilises
A
demonstrated,
can
be
probe
mechanism
or
enzymes.
Natural Product Reports,
Год журнала:
2024,
Номер
unknown
Опубликована: Янв. 1, 2024
Recent
progress
in
the
DBTL
cycle,
including
machine
learning,
facilitated
enzyme
mining
for
biocatalysis.
Automation
and
standardization
of
library
construction,
coupled
to
high-throughput
screening,
further
accelerates
discovery
process.
Molecular Catalysis,
Год журнала:
2024,
Номер
566, С. 114440 - 114440
Опубликована: Авг. 8, 2024
The
stereoselective
oxidation
of
two
classes
prochiral
bis-sulfides,
1,3-dithianes
and
bis-(phenylthio)alkanes,
was
achieved
by
biocatalyzed
reactions
in
the
presence
a
peroxygenase-containing
enzymatic
preparation
from
oat
flour.
In
2-substituted
corresponding
mono-sulfoxides
were
obtained
as
exclusive
products
reaction
proceeded
with
preferential
formation
trans-(1S,2S)-monosulfoxides
good
enantiomeric
diastereoisomeric
purity.
(1S,2S)-configuration
sulfoxides
assigned
correlation
known
(1S,2S)-2-phenyl-1,3-dithiane
1-oxide
through
combination
circular
dichroism
data,
enantiomer
elution
orders
chiral
HPLC
optical
rotations.
activity
monitored
different
media
high
concentration
acetonitrile
or
organic
solvent/aqueous
buffer
biphasic
system
decrease
rate
observed,
however
counterbalanced
some
cases
increased
stereoselectivity.
Unlike
dithianes,
bis-(phenylthio)alkanes
biocatalytically
oxidized
to
bis-sulfoxides,
mixture
chirally
active
C2-symmetric
meso‑isomers.
Some
over-oxidation
detected
bis-(phenylthio)methane
while
1,2-bis-(phenylthio)ethane
cleanly
converted
into
bis-sulfoxide
best
stereoselectivity
performing
water/tert‑butyl
methyl
ether
medium.
