城西大学機関リポジトリJURAUse of 13 C-NMR Chemical Shifts; Application of Principal Component Analysis for Categorizing Structurally Similar Methoxyflavones and Correlation Analysis between Chemical Shifts and Cytotoxicity

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Use of 13 C-NMR Chemical Shifts; Application of Principal Component Analysis for Categorizing Structurally Similar Methoxyflavones and Correlation Analysis between Chemical Shifts and Cytotoxicity

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ID	JOS-cpb.c20-00778
著者：名前	鈴木, 龍一郎/植沢, 芳広/岡田, 嘉仁/堀川, 琢心/岡部, 唯/油田, 正樹/高橋, 邦夫/木下, 薫
著者：別形式	Suzuki, Ryuichiro / Uesawa, Yoshihiro / Okada, Yoshihito / Horikawa, Takumi / Okabe, Yui / Aburada, Masaki / Takahashi, Kunio / Kinoshita, Kaoru
著者：カナ	スズキ, リュウイチロウ/ウエサワ, ヨシヒロ/オカダ, ヨシヒト/ホリカワ, タクミ/オカベ, ユイ/アブラダ, マサキ/タカハシ, クニオ/キノシタ, カオル
著者：所属	城西大学薬学部 / 明治薬科大学 / 明治薬科大学 / 明治薬科大学 / 明治薬科大学 / 武蔵野大学薬学部 / 明治薬科大学 / 明治薬科大学
著者：所属(別形式）	Josai University, Faculty of Pharmaceutical Sciences / Meiji Pharmaceutical University / Meiji Pharmaceutical University / Meiji Pharmaceutical University / Meiji Pharmaceutical University / Musashino University, Faculty of Pharmacy / Meiji Pharmaceutical University / Meiji Pharmaceutical University
著者版フラグ	publisher
出版地	東京
出版者	日本薬学会
出版者：カナ	ニホンヤクガクカイ
出版者：別名	The Pharmaceutical Society of Japan
NCID	AA00602100
冊子ISSN	00092363
電子ISSN	13475223
掲載誌名	Chemical and Pharmaceutical Bulletin
巻	69
号	2
刊行年月	2021-02
開始ページ	199
終了ページ	202
コンテンツ作成日	2020-09-27
コンテンツ修正日	2020-11-04
コンテンツ登録日	2021-03-30
識別番号：DOI	info:doi/10.1248/cpb.c20-00778
識別番号：DOI（リンク）	https://doi.org/10.1248/cpb.c20-00778
PubMed番号	33518602
抄録	The 13C-NMR spectral data for the 15-carbon flavonoid skeleton in eleven methoxyflavones isolated from Kaempferia parviflora (Zingiberaceae) were processed by principal component analysis (PCA). Based on the PCA score plots, the methoxyflavones were categorized into three groups according to their structural features. The cytotoxicities of the methoxyflavones toward 3T3-L1 murine preadipocyte cells were evaluated by 3-(4,5-dimethylthiazole-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTT) assay and found to differ according to structure. The relationship between the 13C-NMR chemical shifts of the methoxyflavones and their cytotoxicities was investigated using Pearson's correlation analysis. The 13C-NMR signal at C-10, a quaternary carbon, was correlated with cytotoxicity. Based on these results, a structural design which lowers the 13C-NMR chemical shift at C-10 would be important for the development of cytotoxic compounds. Although quantitative structure-activity and structure-property relationships are well established paradigms for predicting trends among a series of compounds, quantitative property-activity relationships have been relatively unstudied. This approach offers a new strategy for directing structure-activity relationship research.
キーワード	methoxyflavone/13C-NMR chemical shift/principal component analysis/cytotoxicity/Pearson’s correlation analysis
言語	eng
資源タイプ	text
ジャンル	01学術雑誌論文 / Journal Article
フォーマット	application/pdf
権利	Copyright © 2021 The Pharmaceutical Society of Japan
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このアイテムを表示する：URI	https://libir.josai.ac.jp/il/meta_pub/G0000284repository_JOS-cpb.c20-00778

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