Natural Products (NP) are essential for the discovery of novel drugs and products for numerous biotechnological applications. The NP discovery process is expensive and time-consuming, having as major hurdles dereplication (early identification of known ...
Susana P. Gaudêncio +10 more
doaj +2 more sources
Dereplication of microbial metabolites through database search of mass spectra
New natural products can be identified via mass spectrometry by excluding all known ones from the analysis, a process called dereplication. Here, the authors extend a previously published dereplication algorithm to different classes of secondary ...
Hosein Mohimani +9 more
doaj +2 more sources
Planar chromatographic super-hyphenations for rapid dereplication
Abstract Analytical chemistry offers important tools that provide insight and step-by-step understanding. However, natural samples containing many thousands of different compounds are subject to natural variance which makes it complex for artificial intelligence and human understanding.
Morlock, Gertrud E. +1 more
openaire +3 more sources
Introducing SPeDE: High-Throughput Dereplication and Accurate Determination of Microbial Diversity from Matrix-Assisted Laser Desorption–Ionization Time of Flight Mass Spectrometry Data [PDF]
The isolation of microorganisms from microbial community samples often yields a large number of conspecific isolates. Increasing the diversity covered by an isolate collection entails the implementation of methods and protocols to minimize the number of ...
Charles Dumolin +13 more
doaj +4 more sources
Targeted Dereplication of H. patulum and H. hookeranium Extracts: Establishing MS/MS Fingerprints for the Identification of Polycyclic Polyprenylated Acylphloroglucinols [PDF]
In this study, we combined automated annotation tools with targeted dereplication based on MS/MS fragmentation pathway studies to identify polycyclic polyprenylated acylphloroglucinols (PPAPs) in Hypericum species, using H. patulum and H.
Annabelle Dugay +7 more
doaj +2 more sources
Dereplication of Bioactive Agave Saponin Fractions: The Hidden Saponins
The good phytotoxicity and selectivity against weeds versus tomato or cress make saponin-rich fractions from Agave macroacantha, A. colorata, A. parryi, and A. parrasana attractive candidates as bioherbicides. The saponin contents have only previously been reported for A. macroacantha, and as a consequence, simultaneous dereplication has been performed
Ana M. Simonet +2 more
openaire +4 more sources
Endophytic Fungi of Calea pinnatifida (Asteraceae): Dereplication of Crude Extracts, Antimicrobial Properties, and Identification of New Tetronic Acid Derivative Produced by Hypomontagnella barbarensis [PDF]
Endophytic fungi are increasingly being recognized for their diverse metabolites that may exhibit antimicrobial properties. In our study, we isolated seven endophytic fungal strains from Calea pinnatifida, which were identified as Hypomontagnella ...
Bianca Barna +12 more
doaj +2 more sources
Metabolomics and dereplication study of the British bluebell [PDF]
Using Metabolomics as a tool to enhance natural products drug discovery.
Tawfike, Ahmed +3 more
openaire +3 more sources
Ventilago denticulata is an herbal medicine for the treatment of wound infection; therefore this plant may rich in antibacterial agents. UHPLC-ESI-QTOF-MS/MS-Based molecular networking guided isolation and dereplication led to the identification of ...
Muhaiminatul Azizah +5 more
doaj +2 more sources
Blini: lightweight nucleotide sequence search and dereplication
Blini is a tool for quick lookup of nucleotide sequences in databases, and for quick dereplication of sequence collections. It is meant to help clean and characterize large collections of assembled contigs or long sequences that would otherwise be too big to search with online tools, or too demanding for a local machine to process.
Lavon, Amit
openalex +3 more sources

