Integration of Biochemometrics and Molecular Networking to Identify Antimicrobials in Angelica keiskei.

Clicks: 267
ID: 29704
2018
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Abstract
Botanical medicines have been utilized for centuries, but it remains challenging to identify bioactive constituents from complex botanical extracts. Bioassay-guided fractionation is often biased toward abundant or easily isolatable compounds. To comprehensively evaluate active botanical mixtures, methods that allow for the prioritization of active compounds are needed. To this end, a method integrating bioassay-guided fractionation, biochemometric selectivity ratio analysis, and molecular networking was devised and applied to to comprehensively evaluate its antimicrobial activity against . This approach enabled the identification of putative active constituents early in the fractionation process and provided structural information for these compounds. A subset of chalcone analogs were prioritized for isolation, yielding 4-hydroxyderricin (1, minimal inhibitory concentration [MIC] ≤ 4.6 µM, IC = 2.0 µM), xanthoangelol (2, MIC ≤ 4.0 µM, IC = 2.3) and xanthoangelol K (4, IC = 168 µM). This approach allowed for the identification of a low-abundance compound (xanthoangelol K) that has not been previously reported to possess antimicrobial activity and facilitated a more comprehensive understanding of the compounds responsible for s antimicrobial activity.
Reference Key
caesar2018integrationplanta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Caesar, Lindsay K;Kellogg, Joshua J;Kvalheim, Olav M;Cech, Richard A;Cech, Nadja B;
Journal planta medica
Year 2018
DOI
10.1055/a-0590-5223
URL
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