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

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 Angelica keiskei to comprehensively evaluate its antimicrobial activity against Staphylococcus aureus. This approach enabled the identification of putative active constituents early in the fractionation process and provided structural information for the

SUBMITTER: Caesar LK 

PROVIDER: S-EPMC6277903 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature