MassIVE MSV000087878

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GNPS Antimicrobial Activity of Rumex crispus using a Multivariate Data Analysis Approach

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Description

Plants have a long history of use for their medicinal properties. The complexity of botanical extracts presents unique challenges and necessitates the application of innovative approaches to correctly identify and quantify bioactive compounds. With this study, we employed untargeted metabolomics to explore the antimicrobial activity of the botanical Rumex crispus (yellow dock), a member of the Polygonaceae family that is used as an herbal remedy for bacterial infections. Ultra high-performance liquid chromatography coupled to high resolution mass-spectrometry (UPLC-MS) was used to identify and quantify the known antimicrobial compound emodin. In addition, we used biochemometric approaches to integrate data measuring antimicrobial activity from R. crispus root starting material and fractions against methicillin resistant Staphylococcus aureus (MRSA) with UPLC-MS data. Our results support the hypothesis that multiple constituents, including the anthraquinone emodin, contribute to the antimicrobial activity of R. crispus against MRSA. [doi:10.25345/C5K829] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: Botanicals ; Biochemometrics ; Selectivity ratio ; UHPLC-HRMS ; Rumex crispus ; Polygonaceae

Contact

Principal Investigators:
(in alphabetical order) 		Derick D. Jones Jr, University of North Carolina at Greensboro, US
Submitting User: joelle79

Publications

Chantal V. Pelzer, Joëlle Houriet,William J. Crandall, Daniel A. Todd, Nadja B. Cech , Derick D. Jones jr.
More Than Just aWeed: An Exploration of the Antimicrobial Activity of Rumex crispus using a Multivariate Data Analysis Approach.
Planta Med 2021; 87: 1–9. DOI 10.1055/a-1652-1547 (accepted).

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GNPS content goes here (MSV000087878 [task=5c5d426de50d41e2b7968ef1c6fc486e])
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Distinct condition labels are counted across all files submitted in the "Metadata" category having a "Condition" column in this dataset.

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Number of distinct biological replicates across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct technical replicates across all analyses (original submission and reanalyses) associated with this dataset.

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Originally identified proteins that were automatically remapped by MassIVE to proteins in the SwissProt human reference database.

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Number of distinct protein accessions reported across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct unmodified peptide sequences reported across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct peptide sequences (including modified variants or peptidoforms) reported across all analyses (original submission and reanalyses) associated with this dataset.

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Total number of peptide-spectrum matches (i.e. spectrum identifications) reported across all analyses (original submission and reanalyses) associated with this dataset.

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Number of distinct proteins quantified across all analyses (original submission and reanalyses) associated with this dataset.

Distinct protein accessions are counted across all files submitted in the "Statistical Analysis of Quantified Analytes" category having a "Protein" column in this dataset.

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Number of distinct proteins found to be differentially abundant in at least one comparison across all analyses (original submission and reanalyses) associated with this dataset.

A protein is differentially abundant if its change in abundance across conditions is found to be statistically significant with an adjusted p-value <= 0.05 and lists no issues associated with statistical tests for differential abundance.

Distinct protein accessions are counted across all files submitted in the "Statistical Analysis of Quantified Analytes" category having a "Protein" column in this dataset.

"N/A" means no results of this type were submitted.
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