High-resolution MS, MS/MS, and UV database of fungal secondary metabolites as a dereplication protocol for bioactive natural products

T El-Elimat, M Figueroa, BM Ehrmann… - Journal of natural …, 2013 - ACS Publications
A major problem in the discovery of new biologically active compounds from natural
products is the reisolation of known compounds. Such reisolations waste time and …

Aggressive dereplication using UHPLC–DAD–QTOF: screening extracts for up to 3000 fungal secondary metabolites

A Klitgaard, A Iversen, MR Andersen, TO Larsen… - Analytical and …, 2014 - Springer
In natural-product drug discovery, finding new compounds is the main task, and thus fast
dereplication of known compounds is essential. This is usually performed by manual liquid …

Enhanced dereplication of fungal cultures via use of mass defect filtering

ND Paguigan, T El-Elimat, D Kao, HA Raja… - The Journal of …, 2017 - nature.com
Effective and rapid dereplication is a hallmark of present-day drug discovery from natural
sources. This project strove to both decrease the time and expand the structural diversity …

Accurate dereplication of bioactive secondary metabolites from marine-derived fungi by UHPLC-DAD-QTOFMS and a MS/HRMS library

S Kildgaard, M Mansson, I Dosen, A Klitgaard… - Marine Drugs, 2014 - mdpi.com
In drug discovery, reliable and fast dereplication of known compounds is essential for
identification of novel bioactive compounds. Here, we show an integrated approach using …

Evolving trends in the dereplication of natural product extracts: new methodology for rapid, small-scale investigation of natural product extracts

G Lang, NA Mayhudin, MI Mitova, L Sun… - Journal of Natural …, 2008 - ACS Publications
The use of an HPLC bioactivity profiling/microtiter plate technique in conjunction with
capillary probe NMR instrumentation and access to appropriate databases effectively short …

The importance of mass spectrometric dereplication in fungal secondary metabolite analysis

KF Nielsen, TO Larsen - Frontiers in microbiology, 2015 - frontiersin.org
Having entered the Genomic Era, it is now evident that the biosynthetic potential of
filamentous fungi is much larger than was thought even a decade ago. Fungi harbor many …

Database for rapid dereplication of known natural products using data from MS and fast NMR experiments

CL Zani, AR Carroll - Journal of natural products, 2017 - ACS Publications
The discovery of novel and/or new bioactive natural products from biota sources is often
confounded by the reisolation of known natural products. Dereplication strategies that …

From genomics to metabolomics, moving toward an integrated strategy for the discovery of fungal secondary metabolites

T Hautbergue, EL Jamin, L Debrauwer, O Puel… - Natural Product …, 2018 - pubs.rsc.org
Fungal secondary metabolites are defined by bioactive properties that ensure adaptation of
the fungus to its environment. Although some of these natural products are promising …

Unlocking fungal cryptic natural products

YM Chiang, KH Lee, JF Sanchez… - Natural product …, 2009 - journals.sagepub.com
Recent published sequencing of fungal genomes has revealed that these microorganisms
have a surprisingly large number of secondary metabolite pathways that can serve as …

Scaffold diversity of fungal metabolites

M González-Medina, JR Owen, T El-Elimat… - Frontiers in …, 2017 - frontiersin.org
Many drug discovery projects rely on commercial compounds to discover active leads.
However, current commercial libraries, with mostly synthetic compounds, access a small …