title: NMR-based metabolomic investigation of bioactivity of chemical constituents in black raspberry (Rubus occidentalis L.) fruit extracts.
abstract: Black raspberry (Rubus occidentalis L.) (BR) fruit extracts with differing compound profiles have shown variable antiproliferative activities against HT-29 colon cancer cell lines. This study used partial least-squares (PLS) regression analysis to develop a high-resolution (1)H NMR-based multivariate statistical model for discerning the biological activity of BR constituents. This model identified specific bioactive compounds and ascertained their relative contribution against cancer cell proliferation. Cyanidin 3-rutinoside and cyanidin 3-xylosylrutinoside were the predominant contributors to the extract bioactivity, but salicylic acid derivatives (e.g., salicylic acid glucosyl ester), quercetin 3-glucoside, quercetin 3-rutinoside, p-coumaric acid, epicatechin, methyl ellagic acid derivatives (e.g., methyl ellagic acetyl pentose), and citric acid derivatives also contributed significantly to the antiproliferative activity of the berry extracts. This approach enabled the identification of new bioactive components in BR fruits and demonstrates the utility of the method for assessing chemopreventive compounds in foods and food products.
authors: School of Chemistry, University of Manchester , Oxford Road, Manchester M13 9PL, United Kingdom.
authors: Liladhar
authors: L
authors: Paudel
authors: Faith J
authors: FJ
authors: Wyzgoski
authors: M Monica
authors: MM
authors: Giusti
authors: Jodee L
authors: JL
authors: Johnson
authors: Peter L
authors: PL
authors: Rinaldi
authors: Joseph C
authors: JC
authors: Scheerens
authors: Ann M
authors: AM
authors: Chanon
authors: Joshua A
authors: JA
authors: Bomser
authors: A Raymond
authors: AR
authors: Miller
authors: James K
authors: JK
authors: Hardy
authors: R Neil
authors: RN
authors: Reese
mesh_terms: D045744:Cell Line, Tumor; D049109:Cell Proliferation / Q000187:drug effects; D005638:Fruit / Q000737:chemistry*; D006801:Humans; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D055432:Metabolomics / Q000379:methods*; D010936:Plant Extracts / Q000737:chemistry* / Q000494:pharmacology*; D027824:Rosaceae / Q000737:chemistry*
chemical_list: D010936:Plant Extracts