Can NMR-HetCA be a Reliable Prediction Tool for the Direct Identification of Bioactive Substances in Complex Mixtures?

ABSTRACT: Conventional isolation methods in natural products chemistry are time-consuming and costly and often result in the isolation of moderately active compounds or the detection of already known natural products (NPs). A fast and cost-effective way to identify bioactive metabolites in plant extracts prior to isolation has been developed based on the nuclear magnetic resonance (NMR)-heterocovariance approach (NMR-HetCA). In order to evaluate in depth the application of this chemometrics-based drug discovery methodology, simple mixtures of 10 standard NPs simulating a fast centrifugal partition chromatography (FCPC) fractionation (artificial fractions, ArtFrcts), as well as a more complex mixture of 59 natural standard substances simulating a crude plant extract (artificial extract, ArtExtr), wer

SUBMITTER: Amountzias V 

PROVIDER: S-EPMC11656414 | biostudies-literature | 2024 Dec

REPOSITORIES: biostudies-literature