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J-GLOBAL ID：201802276005501698   Reference number：18A0491409

Exploration of DPP-IV inhibitors with a novel scaffold by multistep in silico screening

多段階in silicoスクリーニングによる新規足場を用いたDPP-IV阻害剤の探索【Powered by NICT】

Author (10)： Uchida Taro (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Uchida Taro (Center for Energy and Environmental Science, Shinshu University, 3-1-1 Asahi, Matsumoto, Nagano 390-8621, Japan) ,  Wakasugi Masaki (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Kitamura Takahiro (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Yamamoto Tomomi (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Asakura Mitsutoshi (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Fujiwara Ryoichi (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Itoh Tomoo (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Fujii Hideaki (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan) ,  Hirono Shuichi (School of Pharmacy, Kitasato University, 5-9-1 Shirokane, Minato-ku, Tokyo 108-8641, Japan)
Material： Journal of Molecular Graphics & Modelling  (J Mol Graph Model)
Volume： 79  Page： 254-263  Publication year： 2018 
JST Material Number： B0044D  ISSN： 1093-3263  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Dipeptidyl peptidase-IV (DPP-I...

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Thesaurus term： model ,  docking ,  therapy ,  *screening (inspection) ,  dipeptidyl aminopeptidase ,  insulin ,  database ,  Type 2 diabetes mellitus ,  inhibitory activity ,  three dimensional quantitative structure activity relationship ,  pharmacophore ,  Drug Discovery ,  *Dipeptidyl-Peptidase IV Inhibitors ,  hypoglycemic drug ,  metabolic drug ,  carbohydrate metabolic drug ,  drug
Semi thesaurus term： *阻害剤 ,  治療標的 , 【Automatic Indexing@JST】

Author keywords (5)： In silico screening ,  DPP-IV ,  Inhibitor ,  3D-QSAR ,  Discriminant

JST classification (2)： Basic research of enzyme preparations and enzyme inhibitor preparations  (GW21010W) ,  Molecular and genetic information processing  (JE15040B)

Terms in the title (5)： 段階 ,  スクリーニング ,  足場 ,  DPP-IV阻害剤 ,  探索