著作: Tamura Yunoshin/Miyagawa Hiroh/[吉田 達貞]/[中馬 寛]/Binding interaction of SGLT with sugar and thiosugar by the molecular dynamics simulation/[Biochimica et Biophysica Acta (BBA) - Biomembranes]
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種別 | 必須 | 学術論文(審査論文) | |||
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言語 | 必須 | 英語 | |||
招待 | 推奨 | ||||
審査 | 推奨 | ||||
カテゴリ | 推奨 | ||||
共著種別 | 推奨 | ||||
学究種別 | 推奨 | ||||
組織 | 推奨 | ||||
著者 | 必須 | ||||
題名 | 必須 |
(英) Binding interaction of SGLT with sugar and thiosugar by the molecular dynamics simulation |
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副題 | 任意 | ||||
要約 | 任意 |
(英) The human sodium-glucose co-transporter 2 (hSGLT2) is a transporter responsible for reabsorption of glucose in the proximal convoluted tubule of the kidney. hSGLT2 inhibitors, including luseogliflozin, have been developed as drugs for type 2 diabetes mellitus. Only luseogliflozin contains a thiosugar ring in its chemical structure, while other hSGLT2 inhibitors contain glucose rings. Consequently, we focused on the binding interactions of hSGLT2 with sugars and thiosugars. We first revealed that the binding affinities of thiosugars are stronger than those of sugars through molecular dynamics simulations of Vibrio parahaemolyticus, sodium-galactose co-transporter, and human hSGLT2. We then demonstrated that Na(+) dissociates from the protein to the cytoplasmic solution more slowly in the thiosugar system than in the sugar system. These differences between sugars and thiosugars are discussed on the basis of the different binding modes due to the atom at the 5-position of the sugar and thiosugar rings. Finally, as a result of Na(+) dissociation, we suggest that the dissociation of thiosugars is slower than that of sugars. |
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キーワード | 推奨 | ||||
発行所 | 推奨 | ||||
誌名 | 必須 |
Biochimica et Biophysica Acta (BBA) - Biomembranes([Elsevier Science])
(pISSN: 0005-2736, eISSN: 1879-2642)
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巻 | 必須 | 1848 | |||
号 | 必須 | 11 | |||
頁 | 必須 | 2799 2804 | |||
都市 | 任意 | ||||
年月日 | 必須 | 2015年 11月 初日 | |||
URL | 任意 | ||||
DOI | 任意 | 10.1016/j.bbamem.2015.08.001 (→Scopusで検索) | |||
PMID | 任意 | 26260238 (→Scopusで検索) | |||
CRID | 任意 | ||||
WOS | 任意 | 000364270800004 | |||
Scopus | 任意 | 2-s2.0-84941332884 | |||
評価値 | 任意 | ||||
被引用数 | 任意 | ||||
指導教員 | 推奨 | ||||
備考 | 任意 |
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