Artificial intelligence for natural product drug discovery

MW Mullowney, KR Duncan, SS Elsayed… - Nature Reviews Drug …, 2023 - nature.com
Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Peptidomics

R Hellinger, A Sigurdsson, W Wu… - Nature Reviews …, 2023 - nature.com
Peptides are biopolymers, typically consisting of 2–50 amino acids. They are biologically
produced by the cellular ribosomal machinery or by non-ribosomal enzymes and …

Statistical analysis of feature-based molecular networking results from non-targeted metabolomics data

AK Pakkir Shah, A Walter, F Ottosson, F Russo… - Nature protocols, 2025 - nature.com
Feature-based molecular networking (FBMN) is a popular analysis approach for liquid
chromatography–tandem mass spectrometry-based non-targeted metabolomics data. While …

Untargeted metabolomics analysis based on LC-IM-QTOF-MS for discriminating geographical origin and vintage of Chinese red wine

Z Wang, X Chen, Q Liu, L Zhang, S Liu, Y Su… - Food Research …, 2023 - Elsevier
Identifying wine geographical origin and vintage is vital due to the abundance of fraudulent
activity associated with wine mislabeling of region and vintage. In this study, an untargeted …

Connecting metabolome and phenotype: recent advances in functional metabolomics tools for the identification of bioactive natural products

GA Vitale, C Geibel, V Minda, M Wang, AT Aron… - Natural Product …, 2024 - pubs.rsc.org
Covering: 1995 to 2023 Advances in bioanalytical methods, particularly mass spectrometry,
have provided valuable molecular insights into the mechanisms of life. Non-targeted …

Leptochelins A–C, Cytotoxic Metallophores Produced by Geographically Dispersed Leptothoe Strains of Marine Cyanobacteria

NE Avalon, MA Reis, CC Thornburg… - Journal of the …, 2024 - ACS Publications
Metals are important cofactors in the metabolic processes of cyanobacteria, including
photosynthesis, cellular respiration, DNA replication, and the biosynthesis of primary and …

Progress and challenges in exploring aquatic microbial communities using non-targeted metabolomics

M Thukral, AE Allen, D Petras - The ISME Journal, 2023 - academic.oup.com
Advances in bioanalytical technologies are constantly expanding our insights into complex
ecosystems. Here, we highlight strategies and applications that make use of non-targeted …

A survey of recently discovered naturally occurring organohalogen compounds

GW Gribble - Journal of Natural Products, 2024 - ACS Publications
The discovery of naturally occurring organohalogen compounds has increased
astronomically in the 55 years since they were first discovered─ from fewer than 50 in 1968 …

Multiplexed screening of thousands of natural products for protein–ligand binding in native mass spectrometry

GTH Nguyen, JL Bennett, S Liu… - Journal of the …, 2021 - ACS Publications
The structural diversity of natural products offers unique opportunities for drug discovery, but
challenges associated with their isolation and screening can hinder the identification of drug …

Recent advances in the engineering and electrochemical applications of amorphous-based nanomaterials: A comprehensive review

L Yi, Y Zhang, K Nie, B Li, Y Yuan, Z Liu… - Coordination Chemistry …, 2024 - Elsevier
Phase engineering of the nanomaterials (PEN) strategy has been proposed to tune the
structure and properties of nanomaterials, which has significantly broadened the application …