MS/MS-based molecular networking: an efficient approach for natural products Dereplication
GF Qin, X Zhang, F Zhu, ZQ Huo, QQ Yao, Q Feng… - Molecules, 2022 - mdpi.com
Natural products (NPs) have historically played a primary role in the discovery of small-
molecule drugs. However, due to the advent of other methodologies and the drawbacks of …
molecule drugs. However, due to the advent of other methodologies and the drawbacks of …
Integration of Molecular Networking and In-Silico MS/MS Fragmentation for Natural Products Dereplication
Dereplication represents a key step for rapidly identifying known secondary metabolites in
complex biological matrices. In this context, liquid-chromatography coupled to high …
complex biological matrices. In this context, liquid-chromatography coupled to high …
Natural products targeting strategies involving molecular networking: different manners, one goal
Covering: up to 2019 Landmark advances in bioinformatics tools have recently enhanced
the field of natural products research, putting today's natural product chemists in the …
the field of natural products research, putting today's natural product chemists in the …
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 …
confounded by the reisolation of known natural products. Dereplication strategies that …
Recent advances and new strategies in the NMR-based identification of natural products
Highlights•Natural products are advancing a dynamic comeback in drug
discovery.•Advances in NMR play a vital role in the identification of natural products.• …
discovery.•Advances in NMR play a vital role in the identification of natural products.• …
Bioactivity-based molecular networking for the discovery of drug leads in natural product bioassay-guided fractionation
LF Nothias, M Nothias-Esposito… - Journal of natural …, 2018 - ACS Publications
It is a common problem in natural product therapeutic lead discovery programs that despite
good bioassay results in the initial extract, the active compound (s) may not be isolated …
good bioassay results in the initial extract, the active compound (s) may not be isolated …
Strategies for dereplication of natural compounds using high-resolution tandem mass spectrometry
Complete structural elucidation of natural products is commonly performed by nuclear
magnetic resonance spectroscopy (NMR), but annotating compounds to most likely …
magnetic resonance spectroscopy (NMR), but annotating compounds to most likely …
Accelerated dereplication of natural products, supported by reference libraries
Natural products are an indispensable source for drug discovery. The major challenge for
exploiting this evolutionary optimized pool of potential lead structures is the fast and reliable …
exploiting this evolutionary optimized pool of potential lead structures is the fast and reliable …
Dereplication of fungal metabolites by NMR-based compound networking using MADByTE
L Flores-Bocanegra, ZY Al Subeh… - Journal of natural …, 2022 - ACS Publications
Strategies for natural product dereplication are continually evolving, essentially in lock step
with advances in MS and NMR techniques. MADByTE is a new platform designed to identify …
with advances in MS and NMR techniques. MADByTE is a new platform designed to identify …
Current status and prospects of computational resources for natural product dereplication: a review
Research in natural products has always enhanced drug discovery by providing new and
unique chemical compounds. However, recently, drug discovery from natural products is …
unique chemical compounds. However, recently, drug discovery from natural products is …