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

Autor(es)

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]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: Phytochemistry; v. 173, MAY 2020.
• Citações Web of Science: 0

Resumo

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)

• Processo FAPESP: 17/18922-2 - Desenvolvimento de uma plataforma computacional modular extensível para análises de experimentos de metabolômica e metagenômica: inovando com a descoberta de novas atividades enzimáticas e produtos naturais de interesse farmacêutico derivados
• Beneficiário: Ricardo Roberto da Silva
• Modalidade de apoio: Auxílio à Pesquisa - Programa BIOTA - Jovens Pesquisadores
• Processo FAPESP: 19/05026-4 - Desenvolvimento de uma plataforma computacional modular extensível para análises de experimentos de metabolômica e metagenômica: Inovando com a descoberta de novas atividades enzimáticas e produtos naturais de interesse farmacêutico derivados
• Beneficiário: Ricardo Roberto da Silva
• Modalidade de apoio: Bolsas no Brasil - Programa BIOTA - Jovens Pesquisadores