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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS/MS data analysis workflow

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Author(s):
Bin Kang, Kyo [1, 2] ; Woo, Sunmin [3, 4] ; Ernst, Madeleine [1, 5] ; van der Hooft, Justin J. J. [1, 6] ; Nothias, Louis-Felix [1] ; da Silva, Ricardo R. [7] ; Dorrestein, Pieter C. [1] ; Sung, Sang Hyun [3, 4] ; Lee, Mina [8]
Total Authors: 9
Affiliation:
[1] Univ Calif San Diego, Collaborat Mass Spectrometry Innovat Ctr, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA 92093 - USA
[2] Sookmyung Womens Univ, Coll Pharm, Res Inst Pharmaceut Sci, Seoul - South Korea
[3] Seoul Natl Univ, Coll Pharm, Seoul - South Korea
[4] Seoul Natl Univ, Res Inst Pharmaceut Sci, Seoul - South Korea
[5] Statens Serum Inst, Ctr Newborn Screening, Dept Congenital Disorders, Copenhagen - Denmark
[6] Wageningen Univ, Dept Plant Sci, Bioinformat Grp, Wageningen - Netherlands
[7] Univ Sao Paulo, Sch Pharmaceut Sci Ribeirao Preto, Phys & Chem Dept, NPPNS, Ribeirao Preto - Brazil
[8] Sunchon Natl Univ, Coll Pharm, Sunchon - South Korea
Total Affiliations: 8
Document type: Journal article
Source: Phytochemistry; v. 173, MAY 2020.
Web of Science Citations: 0
Abstract

Alnus spp. (Betulaceae) have been used for treatments of hemorrhage, burn injuries, antipyretic fever, diarrhea, and alcoholism in traditional medicines. In this study, a digitized LC-MS/MS data analysis workflow was applied to provide an overview on chemical diversity of 15 Alnus extracts prepared from bark, twigs, leaves, and fruits of A. japonica, A. firma, A. hirsuta, and A. hirsuta var. sibirica. Most of the MS/MS spectra could be putatively annotated based on library matching, in silico fragmentation, and substructural topic modeling. The putative annotation allowed us to discriminate the extracts into three chemotypes based on dominant chemical scaffolds: diarylheptanoids, flavonoids or tannins. This high-throughput chemical annotation was correlated with a-glucosidase inhibition data of extracts, and it allowed us to identify gallic acid as the major active compound of A. firma. (AU)

FAPESP's process: 17/18922-2 - Development of a computing platform extensible and modular for metabolomics and metagenomics analysis: innovation with the discovery of new enzymatic activities and natural products of pharmaceutical interest derived
Grantee:Ricardo Roberto da Silva
Support Opportunities: BIOTA-FAPESP Program - Young Investigators Grants
FAPESP's process: 19/05026-4 - Development of a computational platform extensible and modular for analysis of metabolomics and metagenomics experiments: Innovating with the discovery of new enzymatic activities and derived natural products of interest
Grantee:Ricardo Roberto da Silva
Support Opportunities: Scholarships in Brazil - BIOTA - Young Researchers