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J-GLOBAL ID：201902247568663470   Reference number：19A1884753

Predicting the Binding Mode of 2-Hydroxypropyl-β-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory

MDシミュレーションと3D-RISM-KH理論による2-ヒドロキシプロピル-β-シクロデキストリンのコレステロールへの結合モードの予測【JST・京大機械翻訳】

Author (6)： Hayashino Yuji (Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan) ,  Sugita Masatake (Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan) ,  Arima Hidetoshi (Department of Physical Pharmaceutics, Graduate School of Pharmaceutical Sciences, Kumamoto University) ,  Irie Tetsumi (Department of Clinical Chemistry and Informatics, Graduate School of Pharmaceutical Sciences, Kumamoto University) ,  Kikuchi Takeshi (Ritsumeikan University, College of Life Science, Department of Bioinformatics, Shiga, Japan) ,  Hirata Fumio (Toyota Physical and Chemical Research Institute, Aichi, Japan)
Material： Journal of Physical Chemistry B  (Journal of Physical Chemistry B. Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter)
Volume： 122  Issue： 21  Page： 5716-5725  Publication year： 2018 
JST Material Number： W0921A  ISSN： 1520-6106  CODEN： JPCBFK  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： It has been found that a cyclo...

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Thesaurus term： lysosome ,  *three dimension ,  dimer ,  *cyclodextrin ,  affinity ,  glycolipid ,  cholesterol ester ,  complex (compound) ,  Computer Simulation ,  complex (substance) ,  action site ,  Molecular Dynamics Simulation ,  binding affinity ,  computer application ,  utilization ,  sterol ,  alicyclic alcohol
Semi thesaurus term： *結合モード , 【Automatic Indexing@JST】

JST classification (2)： Molecular compounds  (CE02000C) ,  Physicochemical characteristics of drugs  (GV01060M)

Substance index (2)： Cholesterol ,  2-Hydroxypropyl-β-cyclodextrin

Terms in the title (8)： MDシミュレーション ,  3D ,  KH ,  理論 ,  2-ヒドロキシプロピル-β-シクロデキストリン ,  コレステロール ,  結合モード ,  予測