title: Metabolite fingerprinting, pathway analyses, and bioactivity correlations for plant species belonging to the Cornaceae, Fabaceae, and Rosaceae families.
abstract: A multi-parallel approach gauging the mass spectrometry-based metabolite fingerprinting coupled with bioactivity and pathway evaluations could serve as an efficacious tool for inferring plant taxonomic orders. Thirty-four species from three plant families, namely Cornaceae (7), Fabaceae (9), and Rosaceae (18) were subjected to metabolite profiling using gas chromatography-time-of-flight-mass spectrometry (GC-TOF-MS) and ultrahigh performance liquid chromatography-linear trap quadrupole-ion trap-mass spectrometry (UHPLC-LTQ-IT-MS/MS), followed by multivariate analyses to determine the metabolites characteristic of these families. The partial least squares discriminant analysis (PLS-DA) revealed the distinct clustering pattern of metabolites for each family. The pathway analysis further highlighted the relatively higher proportions of flavonols and ellagitannins in the Cornaceae family than in the other two families. Higher levels of phenolic acids and flavan-3-ols were observed among species from the Rosaceae family, while amino acids, flavones, and isoflavones were more abundant among the Fabaceae family members. The antioxidant activities of plant extracts were measured using ABTS, DPPH, and FRAP assays, and indicated that extracts from the Rosaceae family had the highest activity, followed by those from Cornaceae and Fabaceae. The correlation map analysis positively links the proportional concentration of metabolites with their relative antioxidant activities, particularly in Cornaceae and Rosaceae. This work highlights the pre-eminence of the multi-parallel approach involving metabolite profiling and bioactivity evaluations coupled with metabolic pathways as an efficient methodology for the evaluation of plant phylogenies.
authors.affiliation: Department of Bioscience and Biotechnology, Konkuk University, Seoul, 05029, Korea.
authors.forename: Su Young
authors.initials: SY
authors.lastname: Son
authors.affiliation: Department of Bioscience and Biotechnology, Konkuk University, Seoul, 05029, Korea.
authors.forename: Na Kyung
authors.initials: NK
authors.lastname: Kim
authors.affiliation: Department of Bioscience and Biotechnology, Konkuk University, Seoul, 05029, Korea.
authors.forename: Sunmin
authors.initials: S
authors.lastname: Lee
authors.affiliation: Department of Bioscience and Biotechnology, Konkuk University, Seoul, 05029, Korea.
authors.forename: Digar
authors.initials: D
authors.lastname: Singh
authors.affiliation: National Institute of Biological Resources, Environmental Research Complex, Inchon, 22689, Korea.
authors.forename: Ga Ryun
authors.initials: GR
authors.lastname: Kim
authors.affiliation: National Institute of Biological Resources, Environmental Research Complex, Inchon, 22689, Korea.
authors.forename: Jong Seok
authors.initials: JS
authors.lastname: Lee
authors.affiliation: National Institute of Biological Resources, Environmental Research Complex, Inchon, 22689, Korea.
authors.forename: Hee-Sun
authors.initials: HS
authors.lastname: Yang
authors.affiliation: National Institute of Biological Resources, Environmental Research Complex, Inchon, 22689, Korea.
authors.forename: Joohong
authors.initials: J
authors.lastname: Yeo
authors.affiliation: National Institute of Biological Resources, Environmental Research Complex, Inchon, 22689, Korea. lsr57@korea.kr.
authors.forename: Sarah
authors.initials: S
authors.lastname: Lee
authors.affiliation: Department of Bioscience and Biotechnology, Konkuk University, Seoul, 05029, Korea. chlee123@konkuk.ac.kr.
authors.forename: Choong Hwan
authors.initials: CH
authors.lastname: Lee
mesh_terms: D000975:Antioxidants / Q000378:metabolism; D029767:Cornaceae / Q000378:metabolism*; D016002:Discriminant Analysis; D007887:Fabaceae / Q000378:metabolism*; D016018:Least-Squares Analysis; D053858:Metabolic Networks and Pathways; D055442:Metabolome; D055432:Metabolomics / Q000379:methods*; D027824:Rosaceae / Q000378:metabolism*; D064210:Secondary Metabolism; D013045:Species Specificity
chemical_list: D000975:Antioxidants
keywords: Bioactivity; Mass spectrometry; Metabolite fingerprinting; Pathways; Plant families