title: Construction of Prediction Models for the Transient Receptor Potential Vanilloid Subtype 1 (TRPV1)-Stimulating Activity of Ginger and Processed Ginger Based on LC-HRMS Data and PLS Regression Analyses.
abstract: To construct a model formula to evaluate the thermogenetic effect of ginger (Zingiber officinale Roscoe) from the ingredient information, we established transient receptor potential vanilloid subtype 1 (TRPV1)-stimulating activity prediction models by using a partial least-squares projections to latent structures (PLS) regression analysis in which the ingredient data from liquid chromatography-high-resolution mass spectrometry (LC-HRMS) and the stimulating activity values for TRPV1 receptor were used as explanatory and objective variables, respectively. By optimizing the peak extraction condition of the LC-HRMS data and the data preprocessing parameters of the PLS regression analysis, we succeeded in the construction of a TRPV1-stimulating activity prediction model with high precision ability. We then searched for the components responsible for the TRPV1-stimulating activity by analyzing the loading plot and s-plot of the model, and we identified [6]-gingerol (1) and hexahydrocurcumin (3) as TRPV1-stimulating activity components.
authors.affiliation: Division of Pharmacognosy, Phytochemistry and Narcotics, National Institute of Health Sciences , 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan.
authors.forename: Taichi
authors.identifier: http://orcid.org/0000-0002-2296-0868
authors.initials: T
authors.lastname: Yoshitomi
authors.affiliation: Faculty of Pharmaceutical Sciences, Tokyo University of Science , 2641 Yamazaki, Noda, Chiba 278-8510, Japan.
authors.forename: Naohiro
authors.initials: N
authors.lastname: Oshima
authors.affiliation: Division of Pharmacognosy, Phytochemistry and Narcotics, National Institute of Health Sciences , 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan.
authors.forename: Yuto
authors.initials: Y
authors.lastname: Goto
authors.affiliation: School of Pharmacy Sciences, Kitasato University , 5-9-1 Shirogane, Minato-ku, Tokyo 108-8641, Japan.
authors.forename: Shunsuke
authors.initials: S
authors.lastname: Nakamori
authors.affiliation: Faculty of Pharmaceutical Sciences, Hoshi University , 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan.
authors.forename: Daigo
authors.initials: D
authors.lastname: Wakana
authors.affiliation: National Institutes of Biomedical Innovation, Health and Nutrition , 1-2 Hachimandai, Tsukuba, Ibaraki 305-0843, Japan.
authors.forename: Naoko
authors.initials: N
authors.lastname: Anjiki
authors.affiliation: National Institutes of Biomedical Innovation, Health and Nutrition , 1-2 Hachimandai, Tsukuba, Ibaraki 305-0843, Japan.
authors.forename: Koji
authors.initials: K
authors.lastname: Sugimura
authors.affiliation: National Institutes of Biomedical Innovation, Health and Nutrition , 1-2 Hachimandai, Tsukuba, Ibaraki 305-0843, Japan.
authors.forename: Noriaki
authors.initials: N
authors.lastname: Kawano
authors.affiliation: National Institutes of Biomedical Innovation, Health and Nutrition , 1-2 Hachimandai, Tsukuba, Ibaraki 305-0843, Japan.
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Fuchino
authors.affiliation: National Institutes of Biomedical Innovation, Health and Nutrition , 1-2 Hachimandai, Tsukuba, Ibaraki 305-0843, Japan.
authors.forename: Osamu
authors.initials: O
authors.lastname: Iida
authors.affiliation: Department of Clinical Pharmacy, Yokohama University of Pharmacy , 601 Matano-cho, Totsuka-ku, Yokohama, Kanagawa 245-0066, Japan.
authors.forename: Toshiko
authors.initials: T
authors.lastname: Kagawa
authors.affiliation: Faculty of Pharmacy, Meijo University , 150 Yagotoyama, Tempaku-ku, Nagoya, Aichi 468-8503, Japan.
authors.forename: Hideto
authors.initials: H
authors.lastname: Jinno
authors.affiliation: National Institutes of Biomedical Innovation, Health and Nutrition , 1-2 Hachimandai, Tsukuba, Ibaraki 305-0843, Japan.
authors.forename: Nobuo
authors.initials: N
authors.lastname: Kawahara
authors.affiliation: School of Pharmacy Sciences, Kitasato University , 5-9-1 Shirogane, Minato-ku, Tokyo 108-8641, Japan.
authors.forename: Yoshinori
authors.initials: Y
authors.lastname: Kobayashi
authors.affiliation: Division of Pharmacognosy, Phytochemistry and Narcotics, National Institute of Health Sciences , 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, Japan.
authors.forename: Takuro
authors.initials: T
authors.lastname: Maruyama
mesh_terms: D002851:Chromatography, High Pressure Liquid; D005511:Food Handling; D020939:Zingiber officinale / Q000737:chemistry*; D057809:HEK293 Cells; D006801:Humans; D016018:Least-Squares Analysis; D013058:Mass Spectrometry; D010936:Plant Extracts / Q000494:pharmacology*; D050916:TRPV Cation Channels / Q000032:analysis* / Q000378:metabolism
chemical_list: D010936:Plant Extracts; D050916:TRPV Cation Channels; C494482:TRPV1 protein, human
keywords: LC-HRMS; PLS regression analysis; TRPV1; Zingiber officinale Roscoe; [6]-gingerol; [6]-shogaol; hexahydrocurcumin