Use of ¹³C-NMR Chemical Shifts : Application of Principal Component Analysis for Categorizing Structurally Similar Methoxyflavones and Correlation Analysis between Chemical Shifts and Cytotoxicity
-
- Suzuki Ryuichiro
- Faculty of Pharmaceutical Sciences, Josai University
-
- Uesawa Yoshihiro
- Meiji Pharmaceutical University
-
- Okada Yoshihito
- Meiji Pharmaceutical University
-
- Horikawa Takumi
- Meiji Pharmaceutical University
-
- Okabe Yui
- Meiji Pharmaceutical University
-
- Aburada Masaki
- Faculty of Pharmacy, Musashino University
-
- Takahashi Kunio
- Meiji Pharmaceutical University
-
- Kinoshita Kaoru
- Meiji Pharmaceutical University
書誌事項
- タイトル別名
-
- Use of <sup>13</sup>C-NMR Chemical Shifts; Application of Principal Component Analysis for Categorizing Structurally Similar Methoxyflavones and Correlation Analysis between Chemical Shifts and Cytotoxicity
この論文をさがす
抄録
<p>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.</p>
収録刊行物
-
- CHEMICAL & PHARMACEUTICAL BULLETIN
-
CHEMICAL & PHARMACEUTICAL BULLETIN 69 (2), 199-202, 2021-02-01
公益社団法人 日本薬学会
- Tweet
キーワード
詳細情報 詳細情報について
-
- CRID
- 1390849931334091392
-
- NII論文ID
- 130007979412
-
- NII書誌ID
- AA00602100
-
- ISSN
- 13475223
- 00092363
-
- NDL書誌ID
- 031242253
-
- PubMed
- 33518602
-
- 本文言語コード
- en
-
- データソース種別
-
- JaLC
- NDL
- Crossref
- PubMed
- CiNii Articles
-
- 抄録ライセンスフラグ
- 使用不可