Natural
products
exhibit
interesting
structural
features
and
significant
biological
activities.
The
discovery
of
new
bioactive
molecules
is
a
complex
process
that
requires
high-quality
metabolite
profiling
data
to
properly
target
the
isolation
compounds
interest
enable
their
complete
characterization.
same
can
also
be
used
better
understand
chemotaxonomic
links
between
species.
This
Data
Descriptor
details
dataset
resulting
from
untargeted
liquid
chromatography-mass
spectrometry
76
natural
extracts
Celastraceae
family.
spectral
annotation
results
related
chemical
taxonomic
metadata
are
shared,
along
with
proposed
examples
reuse.
further
studied
by
researchers
exploring
diversity
products.
serve
as
reference
sample
set
for
deep
metabolome
investigation
this
chemically
rich
plant
Natural Product Reports,
Год журнала:
2024,
Номер
41(6), С. 885 - 904
Опубликована: Янв. 1, 2024
In
this
review
we
discuss
emerging
functional
metabolomics
strategies
and
their
potential
use
to
reveal
mechanistic
insights
in
large-scale
natural
product
discovery
studies.
Biotechnology Advances,
Год журнала:
2024,
Номер
71, С. 108307 - 108307
Опубликована: Янв. 5, 2024
Bioassays
are
the
main
tool
to
decipher
bioactivities
from
natural
resources
thus
their
selection
and
quality
critical
for
optimal
bioprospecting.
They
used
both
in
early
stages
of
compounds
isolation/purification/identification,
later
evaluate
safety
efficacy.
In
this
review,
we
provide
a
comprehensive
overview
most
common
bioassays
discovery
development
new
bioactive
with
focus
on
marine
bioresources.
We
present
list
practical
considerations
selecting
appropriate
discuss
detail
typically
explore
antimicrobial,
antibiofilm,
cytotoxic,
antiviral,
antioxidant,
anti-ageing
potential.
The
concept
control
bioassay
validation
introduced,
followed
by
considerations,
which
advancing
higher
stage
development.
conclude
providing
an
application-oriented
view
focused
pharmaceuticals,
food
supplements,
cosmetics,
industrial
pipelines
where
currently
known
products
hold
highlight
importance
gaining
reliable
results,
as
these
serve
starting
point
application-based
further
testing,
well
consideration
regulatory
authorities.
Marine Drugs,
Год журнала:
2024,
Номер
22(3), С. 102 - 102
Опубликована: Фев. 23, 2024
The
co-culture
strategy,
which
mimics
natural
ecology
by
constructing
an
artificial
microbial
community,
is
a
useful
tool
for
the
activation
of
biosynthetic
gene
clusters
(BGCs)
to
generate
new
metabolites,
as
well
increase
yield
respective
target
metabolites.
As
part
our
project
aiming
at
discovery
structurally
novel
and
biologically
active
products
from
mangrove
endophytic
fungi,
we
selected
strain
Phomopsis
asparagi
DHS-48
with
another
genus
fungus
DHS-11,
both
endophyted
in
Rhizophora
mangle
considering
impart
taxonomic
criteria
ecological
data.
competition
interaction
two
strains
was
investigated
through
morphology
observation
scanning
electron
microscopy
(SEM),
it
found
that
mycelia
DHS-11
compacted
tangled
each
other
interwoven
pattern
system.
A
approach
integrates
HPLC
chromatogram,
1HNMR
spectroscopy,
UPLC-MS-PCA,
molecular
networking
enabled
targeted
isolation
induced
including
three
dimeric
xanthones
phomoxanthones
L-N
(1–3),
along
six
known
analogs
(4–9).
Their
planar
structures
were
elucidated
analysis
their
HRMS,
MS/MS,
NMR
spectroscopic
data
absolute
configurations
based
on
ECD
calculations.
These
metabolites
showed
broad
cytotoxic
activity
against
cancer
cells
assessed,
compounds
7–9
displayed
significant
cytotoxicity
towards
human
liver
HepG-2
IC50
values
ranging
4.83
μM
12.06
μM.
Compounds
1–6
exhibited
weak
immunosuppressive
proliferation
ConA-induced
(T-cell)
LPS-induced
(B-cell)
murine
splenic
lymphocytes.
Therefore,
combining
co-cultivation
metabolomics-guided
strategy
will
be
implemented
systematic
quick
bioactive
compounds.
Plant Stress,
Год журнала:
2024,
Номер
13, С. 100523 - 100523
Опубликована: Июнь 25, 2024
Allelopathy,
a
biological
phenomenon
involving
the
production
and
release
of
secondary
metabolites
known
as
allelochemicals,
plays
critical
role
in
plant
interactions
agroecosystem
dynamics.
Phenolic
compounds
are
significant
class
allelochemicals
that
profoundly
affect
competition,
soil
health,
microbial
communities.
When
released
into
soil,
their
action
depends
on
soil's
physico-chemical
characteristics
This
review
comprehensively
inspects
phenolic
allelochemicals'
structure-function
relationship,
direct
combat
with
root
cells
rhizosphere,
ecological
functions,
succession
stress
tolerance.
characterized
by
diverse
structures
roles,
offer
sustainable
alternative
to
synthetic
herbicides
due
minimal
residual
impact
environment
rapid
biodegradation.
Additionally,
addresses
challenges
future
directions
applying
aiming
bridge
gap
between
theory
practical
agricultural
applications
for
environmental
protection
crop
productivity
enhancement.
Natural Product Reports,
Год журнала:
2024,
Номер
unknown
Опубликована: Янв. 1, 2024
Discovery
and
scalable
production
of
natural
product
drugs
require
a
combination
molecular
biology,
data
science,
chemistry
fermentation
methods.
Here,
we
describe
our
drug
discovery
toolbox
share
perspective
on
future
directions.
Journal of Natural Products,
Год журнала:
2025,
Номер
unknown
Опубликована: Фев. 7, 2025
The
rediscovery
of
known
drug
classes
represents
a
major
challenge
in
natural
products
discovery.
Compound
inhibits
the
ability
researchers
to
explore
novel
and
wastes
significant
amounts
time
resources.
This
study
introduces
machine
learning
framework
that
can
effectively
characterize
bioactivity
by
leveraging
liquid
chromatography
tandem
mass
spectrometry
untargeted
metabolomics
analysis.
accelerates
product
discovery
addressing
dereplicating
previously
discovered
bioactive
compounds.
Utilizing
SIRIUS
5
software
suite
in-silico-generated
fragmentation
spectra,
we
have
trained
ML
model
capable
predicting
compound's
class.
approach
enables
rapid
identification
scaffolds
from
LC-MS/MS
data,
even
without
reference
experimental
spectra.
was
on
diverse
set
molecular
fingerprints
generated
classify
compounds
based
their
core
pharmacophores.
Our
robustly
classified
21
classes,
achieving
accuracies
greater
than
93%
underscores
potential
combined
with
MFPs
dereplicate
pharmacophore,
streamlining
process
expediting
improved
methods
isolating
antibacterial
antifungal
agents.
Critical Reviews in Biotechnology,
Год журнала:
2025,
Номер
unknown, С. 1 - 32
Опубликована: Март 30, 2025
Natural
products
and
their
derivatives
have
been
important
for
treating
diseases
in
humans,
animals,
plants.
However,
discovering
new
structures
from
natural
sources
is
still
challenging.
In
recent
years,
artificial
intelligence
(AI)
has
greatly
aided
the
discovery
development
of
drugs.
AI
facilitates
to:
connect
genetic
data
to
chemical
or
vice-versa,
repurpose
known
products,
predict
metabolic
pathways,
design
optimize
metabolites
biosynthesis.
More
recently,
emergence
improvement
neural
networks
such
as
deep
learning
ensemble
automated
web
based
bioinformatics
platforms
sped
up
process.
Meanwhile,
also
improves
identification
structure
elucidation
unknown
compounds
raw
like
mass
spectrometry
nuclear
magnetic
resonance.
This
article
reviews
these
AI-driven
methods
tools,
highlighting
practical
applications
guide
efficient
product
drug
development.
Molecules,
Год журнала:
2024,
Номер
29(13), С. 3237 - 3237
Опубликована: Июль 8, 2024
Advanced
techniques
can
accelerate
the
pace
of
natural
product
discovery
from
microbes,
which
has
been
lagging
behind
drug
era.
Therefore,
present
review
article
discusses
various
interdisciplinary
and
cutting-edge
to
a
concrete
strategy
that
enables
high-throughput
screening
novel
compounds
(NCs)
known
microbes.
Recent
bioinformatics
methods
revealed
microbial
genome
contains
huge
untapped
reservoir
silent
biosynthetic
gene
clusters
(BGC).
This
describes
several
identify
strains
with
hidden
mines
BGCs.
Moreover,
antiSMASH
5.0
is
free,
accurate,
highly
reliable
tool
discussed
in
detail
BGCs
genome.
Further,
latest
culture
technique,
HiTES
(high-throughput
elicitor
screening),
detailed
for
expression
using
500-1000
different
growth
conditions
at
time.
Following
BGCs,
mass
spectrometry
are
highlighted
NCs.
The
recently
emerged
LAESI-IMS
(laser
ablation
electrospray
ionization-imaging
spectrometry)
rapid
identification
NCs
directly
microtiter
plates,
presented
detail.
Finally,
trending
'dereplication'
strategies
emphasized
increase
effectiveness
NC
screening.
