Shedding Light on Chemically Mediated Tri-Trophic Interactions: A 1 H-NMR Network Approach to Identify Compound Structural Features and Associated Biological Activity

Frontiers in Plant Science
Lora A RichardsChristopher S Jeffrey

Abstract

Diverse mixtures of plant natural products play an important role in plant-herbivore-parasitoid interactions. In the pursuit of understanding these chemically-mediated interactions, we are often faced with the challenge of determining ecologically and biologically relevant compounds present in complex phytochemical mixtures. Using a network-based approach, we analyzed binned 1H-NMR data from 196 prepared mixtures of commonly studied secondary metabolites including alkaloids, amides, terpenes, iridoid glycosides, saponins, phenylpropanoids, flavonoids and phytosterols. The mixtures included multiple dimensions of chemical diversity, including molecular complexity, mixture complexity and differences in relative compound concentrations. This approach yielded modules of co-occurring chemical shifts that were correlated with specific compounds or common structural features shared across compounds. This approach was then applied to crude phytochemical extracts of 31 species in the phytochemically diverse tropical plant genus Piper (Piperaceae). Combining the activity of crude plant extracts in an array of bioassays with our 1H-NMR network approach, we identified a potential prenylated benzoic acid from these mixtures that exhibits an...Continue Reading

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Citations

Nov 15, 2019·Ecology Letters·William C Wetzel, Susan R Whitehead

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Methods Mentioned

BETA
nuclear magnetic resonance
NMR
PCA

Software Mentioned

Cytoscape
R Delevopment Core Team
PLS
WGCNA
MNova
STOCSY
R
NMDS

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Antifungals

An antifungal, also known as an antimycotic medication, is a pharmaceutical fungicide or fungistatic used to treat and prevent mycosis such as athlete's foot, ringworm, candidiasis, cryptococcal meningitis, and others. Discover the latest research on antifungals here.

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